#------------------------------------------------------------------------------
#$Date: 2020-04-04 07:10:10 +0300 (Sat, 04 Apr 2020) $
#$Revision: 250060 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/45/4134532.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4134532
loop_
_publ_author_name
'Khoury, Jason F.'
'Rettie, Alexander J. E.'
'Robredo, Iñigo'
'Krogstad, Matthew J.'
'Malliakas, Christos D.'
'Bergara, Aitor'
'Vergniory, Maia G.'
'Osborn, Raymond'
'Rosenkranz, Stephan'
'Chung, Duck Young'
'Kanatzidis, Mercouri G.'
_publ_section_title
;
 The Subchalcogenides Ir₂In₈Q (Q = S, Se, Te): Dirac
 Semimetal Candidates with Re-entrant Structural Modulation.
;
_journal_issue                   13
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6312
_journal_page_last               6323
_journal_paper_doi               10.1021/jacs.0c00809
_journal_volume                  142
_journal_year                    2020
_chemical_formula_sum            'In8 Ir2 Se'
_chemical_formula_weight         1382
_space_group_IT_number           6
_space_group_name_Hall           'P -2'
_space_group_name_H-M_alt        'P 1 1 m'
_space_group_ssg_name            Pm(\a\b0)0
_symmetry_cell_setting           monoclinic
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                89.9995
_cell_formula_units_Z            4
_cell_length_a                   9.9200(6)
_cell_length_b                   9.9262(6)
_cell_length_c                   10.1092(6)
_cell_measurement_temperature    120
_cell_modulation_dimension       1
_cell_volume                     995.43(10)
_computing_cell_refinement       'SAINT V8.34A (Bruker, 2013)'
_computing_data_collection       'APEX2 V2014.11-0 (Bruker, 2014)'
_computing_data_reduction        'Bruker SAINT'
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.9
_diffrn_measured_fraction_theta_max 0.87
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_measurement_method       'Bruker CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.095
_diffrn_reflns_av_unetI/netI     0.0211
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_index_m_1_max 1
_diffrn_reflns_limit_index_m_1_min -1
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13783
_diffrn_reflns_theta_full        22.14
_diffrn_reflns_theta_max         29.98
_diffrn_reflns_theta_min         3.78
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    48.361
_exptl_absorpt_correction_T_max  0.5796
_exptl_absorpt_correction_T_min  0.0927
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   Jana2006
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    9.2213
_exptl_crystal_description       cube
_exptl_crystal_F_000             2320
_exptl_crystal_size_max          0.278
_exptl_crystal_size_mid          0.246
_exptl_crystal_size_min          0.225
_refine_diff_density_max         9.29
_refine_diff_density_min         -10.15
_refine_ls_abs_structure_details
'  1223 of Friedel pairs used in the refinement'
_refine_ls_abs_structure_Flack   0.182(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    3.32
_refine_ls_goodness_of_fit_ref   2.45
_refine_ls_number_constraints    3
_refine_ls_number_parameters     669
_refine_ls_number_reflns         9179
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0749
_refine_ls_R_factor_gt           0.0513
_refine_ls_shift/su_max          0.0438
_refine_ls_shift/su_mean         0.0035
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(σ²(I)+0.0004I²)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1085
_refine_ls_wR_factor_ref         0.1101
_reflns_number_gt                5139
_reflns_number_total             9179
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ja0c00809_si_005.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_absorpt_correction_type' value 'Gaussian' was
changed to 'gaussian' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 4134530--4134534.cif.
;
_cod_original_formula_sum        'Ir2 In8 Se'
_cod_database_code               4134532
_jana_cell_commen_supercell_matrix_1_1 6
_jana_cell_commen_supercell_matrix_1_2 0
_jana_cell_commen_supercell_matrix_1_3 0
_jana_cell_commen_supercell_matrix_2_1 0
_jana_cell_commen_supercell_matrix_2_2 6
_jana_cell_commen_supercell_matrix_2_3 0
_jana_cell_commen_supercell_matrix_3_1 0
_jana_cell_commen_supercell_matrix_3_2 0
_jana_cell_commen_supercell_matrix_3_3 1
_jana_cell_commen_t_section_1    0
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,y,-z
loop_
_space_group_symop_ssg_id
_space_group_symop_ssg_operation_algebraic
1 x1,x2,x3,x4
2 x1,x2,-x3,x4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir1 Ir 0.1867(7) 0.1868(8) 0.23814(13) Uani 0.0035(3) 2 1 d . . .
Ir2 Ir -0.1865(7) -0.1868(8) -0.24180(12) Uani 0.0045(3) 2 1 d . . .
Ir3 Ir 0.6860(7) 0.3138(8) 0.25871(12) Uani 0.0050(3) 2 1 d . . .
Ir4 Ir -0.6871(7) -0.3141(8) -0.25965(13) Uani 0.0062(4) 2 1 d . . .
In1 In 0.5919(8) 0.4002(9) 0.5 Uani 0.0062(9) 1 1 d . . .
In2 In -0.5981(8) -0.4075(9) -0.5 Uani 0.0075(9) 1 1 d . . .
In3 In 0.0937(8) 0.0933(9) 0 Uani 0.0060(9) 1 1 d . . .
In4 In -0.0979(8) -0.0966(9) 0 Uani 0.0093(10) 1 1 d . . .
In5 In 0.4979(7) 0.5003(9) 0.1644(2) Uani 0.0090(7) 2 1 d . . .
In6 In 0.8169(8) 0.2156(9) 0.5 Uani 0.0115(10) 1 1 d . . .
In7 In -0.7814(8) -0.1861(9) -0.5 Uani 0.0096(9) 1 1 d . . .
In8 In 0.2032(7) 0.4467(9) 0.2991(3) Uani 0.0085(7) 2 1 d . . .
In9 In -0.2063(7) -0.4459(9) -0.2964(2) Uani 0.0071(7) 2 1 d . . .
In10 In 0.0016(7) 0.0010(9) 0.3405(2) Uani 0.0070(6) 2 1 d . . .
In11 In 0.2949(7) -0.0543(9) 0.1955(2) Uani 0.0085(6) 2 1 d . . .
In12 In -0.2935(7) 0.0538(8) -0.2063(2) Uani 0.0086(7) 2 1 d . . .
In13 In 0.4464(7) 0.2035(9) 0.2969(3) Uani 0.0094(7) 2 1 d . . .
In14 In -0.4458(7) -0.2061(9) -0.2998(3) Uani 0.0087(7) 2 1 d . . .
In15 In -0.0522(7) 0.2949(9) 0.1970(3) Uani 0.0079(6) 2 1 d . . .
In16 In 0.0535(7) -0.2949(9) -0.2073(3) Uani 0.0081(6) 2 1 d . . .
In17 In 0.1880(8) 0.1900(9) 0.5 Uani 0.0098(10) 1 1 d . . .
In18 In -0.1830(8) -0.1876(9) -0.5 Uani 0.0115(10) 1 1 d . . .
In19 In 0.6859(8) 0.3118(9) 0 Uani 0.0097(10) 1 1 d . . .
In20 In -0.6943(8) -0.3183(9) 0 Uani 0.0110(11) 1 1 d . . .
In21 In 0.2968(8) 0.3003(9) 0 Uani 0.0017(11) 1 1 d . . .
In22 In -0.3019(8) -0.2979(10) 0 Uani 0.0044(12) 1 1 d . . .
Se1 Se 0.5021(9) -0.0031(12) 0 Uani 0.0017(12) 1 1 d . . .
Se2 Se 0.4763(9) -0.0042(10) 0.5 Uani 0.0149(15) 1 1 d . . .
Se3 Se 0.0006(10) 0.5001(10) 0 Uani 0.0013(12) 1 1 d . . .
Se4 Se -0.0072(9) 0.4750(11) 0.5 Uani 0.0138(15) 1 1 d . . .
loop_
_atom_site_displace_Fourier_atom_site_label
_atom_site_displace_Fourier_axis
_atom_site_displace_Fourier_wave_vector_seq_id
_atom_site_displace_Fourier_param_cos
_atom_site_displace_Fourier_param_sin
Ir1 x 1 -0.0002(3) -0.0003
Ir1 y 1 0.0007(3) 0.0009(3)
Ir1 z 1 0.0000(3) 0.0004(3)
Ir2 x 1 -0.0005(2) -0.0004(2)
Ir2 y 1 -0.0003(3) 0.0001(3)
Ir2 z 1 -0.0004(3) 0.0003(3)
Ir3 x 1 0.0007(3) 0.0004(3)
Ir3 y 1 -0.0010(3) 0.0004(3)
Ir3 z 1 0.0027(4) 0.0016(4)
Ir4 x 1 0.0002(3) -0.0005(3)
Ir4 y 1 -0.0001(3) 0.0003(3)
Ir4 z 1 0.0021(4) 0.0014(4)
In1 x 1 -0.0053(7) 0.0020(8)
In1 y 1 -0.0005(9) 0.0058(9)
In1 z 1 0 0
In2 x 1 -0.0004(8) -0.0041(7)
In2 y 1 0.0043(9) -0.0006(9)
In2 z 1 0 0
In3 x 1 -0.0072(7) 0.0003(9)
In3 y 1 0.0071(9) -0.0007(10)
In3 z 1 0 0
In4 x 1 -0.0009(10) -0.0083(8)
In4 y 1 0.0009(11) 0.0065(9)
In4 z 1 0 0
In5 x 1 0.0026(4) 0.0021(6)
In5 y 1 -0.0026(5) -0.0015(8)
In5 z 1 0.0001(7) 0.0001(5)
In6 x 1 -0.0040(6) -0.0005(7)
In6 y 1 -0.0026(9) 0.0000(9)
In6 z 1 0 0
In7 x 1 0.0000(6) -0.0015(6)
In7 y 1 0.0037(9) 0.0002(9)
In7 z 1 0 0
In8 x 1 0.0017(5) -0.0023(5)
In8 y 1 -0.0006(6) 0.0000(6)
In8 z 1 -0.0070(9) -0.0076(8)
In9 x 1 0.0007(5) 0.0027(5)
In9 y 1 0.0016(6) 0.0000(6)
In9 z 1 -0.0095(6) -0.0012(9)
In10 x 1 -0.0014(4) 0.0009(6)
In10 y 1 0.0003(5) 0.0000(7)
In10 z 1 0.0009(7) 0.0004(5)
In11 x 1 -0.0034(5) 0.0009(6)
In11 y 1 0.0008(6) 0.0015(6)
In11 z 1 0.0001(6) 0.0019(6)
In12 x 1 -0.0003(6) -0.0032(5)
In12 y 1 0.0003(6) -0.0008(6)
In12 z 1 0.0006(7) -0.0036(6)
In13 x 1 0.0002(5) -0.0010(5)
In13 y 1 -0.0024(7) 0.0018(7)
In13 z 1 0.0070(8) 0.0066(8)
In14 x 1 -0.0004(5) 0.0003(5)
In14 y 1 0.0003(7) -0.0017(7)
In14 z 1 0.0105(6) 0.0005(10)
In15 x 1 -0.0001(5) -0.0009(5)
In15 y 1 0.0033(6) 0.0000(6)
In15 z 1 0.0011(6) -0.0021(6)
In16 x 1 -0.0014(5) 0.0001(5)
In16 y 1 -0.0009(6) 0.0031(6)
In16 z 1 -0.0008(7) 0.0026(6)
In17 x 1 -0.0066(9) -0.0056(9)
In17 y 1 0.0072(10) 0.0045(10)
In17 z 1 0 0
In18 x 1 -0.0077(8) -0.0034(10)
In18 y 1 0.0043(8) 0.0012(10)
In18 z 1 0 0
In19 x 1 0.0037(9) -0.0056(8)
In19 y 1 0.0016(11) -0.0061(10)
In19 z 1 0 0
In20 x 1 0.0002(9) 0.0048(8)
In20 y 1 -0.0033(10) 0.0038(10)
In20 z 1 0 0
In21 x 1 0.0243(12) 0.0139(18)
In21 y 1 -0.0233(14) -0.0170(18)
In21 z 1 0 0
In22 x 1 0.0268(10) 0.012(2)
In22 y 1 -0.0245(13) -0.015(2)
In22 z 1 0 0
Se1 x 1 -0.0066(10) -0.0079(15)
Se1 y 1 0.0348(19) 0.018(3)
Se1 z 1 0 0
Se2 x 1 0.0001(9) -0.0001(10)
Se2 y 1 -0.0033(11) -0.0020(15)
Se2 z 1 0 0
Se3 x 1 -0.0346(16) -0.019(3)
Se3 y 1 0.0050(12) 0.0076(16)
Se3 z 1 0 0
Se4 x 1 0.0027(8) 0.0009(13)
Se4 y 1 0.0009(12) 0.0017(12)
Se4 z 1 0 0
loop_
_atom_site_displace_special_func_atom_site_label
_atom_site_displace_special_func_sawtooth_ax
_atom_site_displace_special_func_sawtooth_ay
_atom_site_displace_special_func_sawtooth_az
_atom_site_displace_special_func_sawtooth_c
_atom_site_displace_special_func_sawtooth_w
? ? ? ? ? ?
loop_
_atom_site_Fourier_wave_vector_seq_id
_jana_atom_site_fourier_wave_vector_q1_coeff
1 1
loop_
_atom_site_occ_Fourier_atom_site_label
_atom_site_occ_Fourier_wave_vector_seq_id
_atom_site_occ_Fourier_param_cos
_atom_site_occ_Fourier_param_sin
? ? ? ?
loop_
_atom_site_occ_special_func_atom_site_label
_atom_site_occ_special_func_crenel_c
_atom_site_occ_special_func_crenel_w
? ? ?
loop_
_atom_site_U_Fourier_atom_site_label
_atom_site_U_Fourier_tens_elem
_atom_site_U_Fourier_wave_vector_seq_id
_atom_site_U_Fourier_param_cos
_atom_site_U_Fourier_param_sin
Ir1 U11 1 -0.0034(12) -0.0024(12)
Ir1 U22 1 -0.0050(13) -0.0043(13)
Ir1 U33 1 0.0008(17) 0.0006(15)
Ir1 U12 1 -0.0011(12) -0.0008(11)
Ir1 U13 1 0.0003(11) -0.0004(11)
Ir1 U23 1 -0.0036(12) -0.0010(13)
Ir2 U11 1 -0.0041(12) -0.0012(13)
Ir2 U22 1 -0.0046(14) -0.0032(15)
Ir2 U33 1 0.0011(16) 0.0005(16)
Ir2 U12 1 -0.0021(12) -0.0007(13)
Ir2 U13 1 -0.0002(11) 0.0006(11)
Ir2 U23 1 -0.0027(13) -0.0023(13)
Ir3 U11 1 -0.0064(12) -0.0029(13)
Ir3 U22 1 -0.0039(15) -0.0026(14)
Ir3 U33 1 0.0028(17) 0.0014(17)
Ir3 U12 1 -0.0024(13) -0.0001(12)
Ir3 U13 1 -0.0002(11) -0.0008(12)
Ir3 U23 1 0.0005(13) -0.0024(12)
Ir4 U11 1 -0.0054(12) -0.0034(13)
Ir4 U22 1 -0.0046(14) -0.0043(15)
Ir4 U33 1 0.0018(17) 0.0015(17)
Ir4 U12 1 -0.0013(12) -0.0007(13)
Ir4 U13 1 -0.0010(12) -0.0005(12)
Ir4 U23 1 -0.0009(13) 0.0024(13)
In1 U11 1 -0.009(3) 0.000(3)
In1 U22 1 -0.011(4) -0.006(4)
In1 U33 1 0.009(4) 0.000(4)
In1 U12 1 -0.008(3) 0.003(3)
In1 U13 1 0 0
In1 U23 1 0 0
In2 U11 1 -0.004(3) -0.005(3)
In2 U22 1 -0.007(4) -0.004(4)
In2 U33 1 0.005(5) 0.008(4)
In2 U12 1 0.001(3) -0.005(3)
In2 U13 1 0 0
In2 U23 1 0 0
In3 U11 1 -0.010(3) -0.002(4)
In3 U22 1 0.006(4) -0.001(4)
In3 U33 1 0.008(4) 0.000(4)
In3 U12 1 -0.001(3) 0.004(3)
In3 U13 1 0 0
In3 U23 1 0 0
In4 U11 1 -0.006(4) -0.006(3)
In4 U22 1 -0.002(4) 0.000(4)
In4 U33 1 0.004(4) 0.006(4)
In4 U12 1 0.007(4) -0.001(4)
In4 U13 1 0 0
In4 U23 1 0 0
In5 U11 1 -0.007(3) -0.0029(18)
In5 U22 1 -0.013(3) -0.007(2)
In5 U33 1 0.001(4) 0.000(2)
In5 U12 1 -0.003(3) -0.0017(19)
In5 U13 1 -0.0008(17) -0.001(3)
In5 U23 1 0.006(2) -0.005(3)
In6 U11 1 0.001(3) -0.003(3)
In6 U22 1 0.000(4) 0.000(4)
In6 U33 1 -0.002(3) -0.001(3)
In6 U12 1 0.003(3) 0.000(3)
In6 U13 1 0 0
In6 U23 1 0 0
In7 U11 1 0.001(3) 0.004(3)
In7 U22 1 -0.004(4) -0.003(4)
In7 U33 1 -0.005(3) -0.001(3)
In7 U12 1 0.001(3) 0.002(3)
In7 U13 1 0 0
In7 U23 1 0 0
In8 U11 1 -0.003(2) -0.006(2)
In8 U22 1 0.001(3) 0.000(3)
In8 U33 1 0.001(3) 0.003(3)
In8 U12 1 0.000(2) -0.001(2)
In8 U13 1 0.001(2) -0.001(2)
In8 U23 1 -0.005(2) -0.002(3)
In9 U11 1 -0.006(2) -0.001(3)
In9 U22 1 0.000(2) -0.001(3)
In9 U33 1 0.000(3) -0.002(3)
In9 U12 1 0.000(2) 0.000(2)
In9 U13 1 0.0008(19) 0.002(2)
In9 U23 1 -0.004(2) -0.002(3)
In10 U11 1 -0.003(3) -0.0022(18)
In10 U22 1 -0.009(3) -0.005(2)
In10 U33 1 -0.001(3) 0.000(2)
In10 U12 1 -0.008(2) -0.0043(19)
In10 U13 1 0.0017(16) -0.003(2)
In10 U23 1 0.004(2) -0.007(3)
In11 U11 1 -0.004(2) -0.001(2)
In11 U22 1 -0.007(2) -0.003(2)
In11 U33 1 0.006(3) 0.001(3)
In11 U12 1 -0.001(2) -0.002(2)
In11 U13 1 -0.002(2) 0.001(2)
In11 U23 1 -0.004(2) 0.003(2)
In12 U11 1 -0.002(2) -0.002(2)
In12 U22 1 -0.004(2) -0.004(2)
In12 U33 1 0.001(3) 0.000(3)
In12 U12 1 -0.004(2) 0.000(2)
In12 U13 1 0.000(2) -0.002(2)
In12 U23 1 0.000(2) -0.006(2)
In13 U11 1 -0.001(2) -0.003(2)
In13 U22 1 -0.007(3) -0.003(3)
In13 U33 1 -0.001(3) -0.001(3)
In13 U12 1 0.002(2) 0.005(2)
In13 U13 1 0.003(2) 0.002(2)
In13 U23 1 -0.004(3) -0.007(2)
In14 U11 1 -0.002(2) 0.001(2)
In14 U22 1 -0.004(3) -0.006(3)
In14 U33 1 0.003(2) 0.000(4)
In14 U12 1 0.005(2) 0.001(2)
In14 U13 1 0.0013(17) 0.002(2)
In14 U23 1 -0.008(2) 0.001(3)
In15 U11 1 -0.001(2) -0.001(2)
In15 U22 1 -0.006(3) -0.006(3)
In15 U33 1 0.000(3) 0.001(3)
In15 U12 1 0.004(2) 0.001(2)
In15 U13 1 0.001(2) -0.0001(19)
In15 U23 1 0.003(2) 0.000(2)
In16 U11 1 -0.002(2) 0.000(2)
In16 U22 1 -0.005(2) -0.004(2)
In16 U33 1 -0.001(3) -0.001(3)
In16 U12 1 0.003(2) 0.000(2)
In16 U13 1 0.000(2) 0.001(2)
In16 U23 1 0.001(2) 0.004(2)
In17 U11 1 0.004(4) -0.002(3)
In17 U22 1 -0.009(4) -0.014(4)
In17 U33 1 -0.007(4) 0.007(4)
In17 U12 1 -0.007(4) -0.018(3)
In17 U13 1 0 0
In17 U23 1 0 0
In18 U11 1 0.003(3) 0.007(4)
In18 U22 1 -0.011(3) 0.000(4)
In18 U33 1 0.003(4) -0.008(5)
In18 U12 1 -0.021(3) 0.001(4)
In18 U13 1 0 0
In18 U23 1 0 0
In19 U11 1 -0.002(4) 0.004(3)
In19 U22 1 -0.003(5) -0.001(4)
In19 U33 1 -0.008(4) -0.007(4)
In19 U12 1 -0.004(4) 0.000(4)
In19 U13 1 0 0
In19 U23 1 0 0
In20 U11 1 -0.002(3) 0.001(3)
In20 U22 1 -0.009(4) 0.000(5)
In20 U33 1 -0.010(4) -0.003(4)
In20 U12 1 -0.008(4) 0.002(4)
In20 U13 1 0 0
In20 U23 1 0 0
In21 U11 1 0.002(3) 0.007(3)
In21 U22 1 0.004(3) 0.004(4)
In21 U33 1 -0.007(4) -0.007(5)
In21 U12 1 -0.001(3) -0.014(3)
In21 U13 1 0 0
In21 U23 1 0 0
In22 U11 1 0.008(2) -0.001(4)
In22 U22 1 0.009(3) -0.001(5)
In22 U33 1 -0.005(3) 0.003(5)
In22 U12 1 -0.014(3) 0.004(4)
In22 U13 1 0 0
In22 U23 1 0 0
Se1 U11 1 -0.002(4) -0.001(3)
Se1 U22 1 -0.001(4) 0.006(6)
Se1 U33 1 -0.007(5) -0.004(4)
Se1 U12 1 -0.002(4) -0.002(4)
Se1 U13 1 0 0
Se1 U23 1 0 0
Se2 U11 1 0.002(4) -0.001(6)
Se2 U22 1 -0.022(6) -0.015(5)
Se2 U33 1 -0.005(5) 0.001(5)
Se2 U12 1 -0.001(5) 0.000(5)
Se2 U13 1 0 0
Se2 U23 1 0 0
Se3 U11 1 0.014(3) 0.000(4)
Se3 U22 1 0.014(5) 0.007(4)
Se3 U33 1 0.000(4) 0.002(4)
Se3 U12 1 -0.006(4) -0.008(4)
Se3 U13 1 0 0
Se3 U23 1 0 0
Se4 U11 1 -0.007(5) -0.003(4)
Se4 U22 1 -0.010(6) 0.011(7)
Se4 U33 1 -0.004(6) -0.003(4)
Se4 U12 1 0.001(5) 0.005(5)
Se4 U13 1 0 0
Se4 U23 1 0 0
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
In -0.7276 1.3100 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Ir -1.4442 7.9887 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Se -0.0929 2.2259 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
loop_
_cell_wave_vector_seq_id
_cell_wave_vector_x
_cell_wave_vector_y
_cell_wave_vector_z
1 0.166667 0.166667 0.000000
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2 -5 30 0.02659
6 1 -30 0.02842
2 30 -7 0.0058
-2 -15 3 0.00595
30 1 0 0.03018
-15 -3 -1 0.03094
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_ssg_symmetry_1
_geom_angle_site_ssg_symmetry_2
_geom_angle_site_ssg_symmetry_3
_geom_angle_av
_geom_angle_min
_geom_angle_max
_geom_angle_publ_flag
In3 Ir1 In8 . . . 124.4(4) 121.5(4) 127.2(4) ?
In3 Ir1 In10 . . . 81.9(4) 81.7(4) 82.2(4) ?
In3 Ir1 In11 . . . 72.5(4) 71.2(4) 73.7(4) ?
In3 Ir1 In13 . . . 122.4(4) 119.3(4) 125.5(4) ?
In3 Ir1 In15 . . . 72.6(4) 71.7(4) 73.4(4) ?
In3 Ir1 In17 . . . 150.8(6) 150.4(5) 151.1(6) ?
In3 Ir1 In21 . . . 62.7(4) 62.3(4) 63.3(4) ?
In8 Ir1 In10 . . . 126.7(4) 125.1(4) 128.2(4) ?
In8 Ir1 In11 . . . 152.0(5) 151.6(5) 152.3(5) ?
In8 Ir1 In13 . . . 79.6(4) 79.1(4) 80.1(4) ?
In8 Ir1 In15 . . . 72.6(4) 71.9(4) 73.3(4) ?
In8 Ir1 In17 . . . 76.6(4) 76.0(4) 77.3(4) ?
In8 Ir1 In21 . . . 77.3(5) 73.7(4) 81.0(5) ?
In10 Ir1 In11 . . . 74.1(4) 73.6(4) 74.5(4) ?
In10 Ir1 In13 . . . 128.2(4) 126.3(4) 130.2(5) ?
In10 Ir1 In15 . . . 74.1(4) 73.7(4) 74.5(4) ?
In10 Ir1 In17 . . . 69.0(4) 68.3(4) 69.7(4) ?
In10 Ir1 In21 . . . 143.9(4) 143.1(4) 144.4(4) ?
In11 Ir1 In13 . . . 72.4(4) 71.9(4) 73.0(4) ?
In11 Ir1 In15 . . . 135.2(5) 134.9(5) 135.5(5) ?
In11 Ir1 In17 . . . 97.9(4) 95.9(4) 99.9(4) ?
In11 Ir1 In21 . . . 95.5(5) 87.8(5) 103.1(4) ?
In13 Ir1 In15 . . . 151.8(6) 151.3(6) 152.3(6) ?
In13 Ir1 In17 . . . 77.9(4) 77.0(4) 78.8(4) ?
In13 Ir1 In21 . . . 77.3(4) 74.1(4) 80.6(5) ?
In15 Ir1 In17 . . . 99.2(4) 96.5(4) 101.8(4) ?
In15 Ir1 In21 . . . 92.4(5) 84.6(5) 100.4(5) ?
In17 Ir1 In21 . . . 146.5(6) 145.8(6) 147.0(6) ?
In4 Ir2 In9 . . . 121.6(5) 117.7(5) 125.5(5) ?
In4 Ir2 In10 . . 2_5555 83.0(4) 82.7(4) 83.2(4) ?
In4 Ir2 In12 . . . 73.2(4) 71.7(4) 74.6(4) ?
In4 Ir2 In14 . . . 123.3(4) 119.6(4) 126.9(4) ?
In4 Ir2 In16 . . . 73.3(4) 71.4(4) 75.2(4) ?
In4 Ir2 In18 . . . 153.1(6) 152.4(6) 153.8(6) ?
In4 Ir2 In22 . . . 60.5(4) 59.9(4) 61.1(4) ?
In9 Ir2 In10 . . 2_5555 128.8(4) 127.2(4) 130.4(4) ?
In9 Ir2 In12 . . . 151.3(5) 150.6(5) 151.9(5) ?
In9 Ir2 In14 . . . 79.3(4) 79.0(4) 79.6(4) ?
In9 Ir2 In16 . . . 72.4(4) 71.5(4) 73.3(4) ?
In9 Ir2 In18 . . . 76.9(4) 75.5(4) 78.3(4) ?
In9 Ir2 In22 . . . 78.0(5) 74.8(5) 81.2(5) ?
In10 Ir2 In12 2_5555 . . 74.0(4) 73.5(4) 74.5(4) ?
In10 Ir2 In14 2_5555 . . 127.1(4) 125.7(4) 128.4(4) ?
In10 Ir2 In16 2_5555 . . 74.1(4) 73.5(4) 74.8(4) ?
In10 Ir2 In18 2_5555 . . 70.3(4) 69.7(4) 71.0(4) ?
In10 Ir2 In22 2_5555 . . 142.6(5) 141.7(5) 143.4(4) ?
In12 Ir2 In14 . . . 72.5(4) 71.6(4) 73.4(4) ?
In12 Ir2 In16 . . . 135.8(5) 135.6(5) 136.1(5) ?
In12 Ir2 In18 . . . 99.8(4) 97.7(4) 101.8(4) ?
In12 Ir2 In22 . . . 92.1(5) 84.2(5) 100.0(5) ?
In14 Ir2 In16 . . . 151.5(6) 151.0(6) 152.0(6) ?
In14 Ir2 In18 . . . 76.5(4) 75.6(4) 77.4(4) ?
In14 Ir2 In22 . . . 77.7(5) 74.4(4) 81.1(5) ?
In16 Ir2 In18 . . . 97.4(4) 95.4(4) 99.5(4) ?
In16 Ir2 In22 . . . 95.4(5) 87.8(5) 103.0(5) ?
In18 Ir2 In22 . . . 146.4(6) 146.1(6) 147.0(6) ?
In1 Ir3 In5 . . . 82.9(4) 82.4(4) 83.5(4) ?
In1 Ir3 In6 . . . 61.3(3) 60.0(3) 62.7(3) ?
In1 Ir3 In9 . . 2_6565 74.4(4) 73.0(4) 75.9(4) ?
In1 Ir3 In12 . . 2_5565 120.8(4) 119.5(4) 122.1(4) ?
In1 Ir3 In13 . . . 72.8(4) 71.5(4) 74.1(4) ?
In1 Ir3 In15 . . 1_5565 122.8(4) 121.4(4) 124.1(4) ?
In1 Ir3 In19 . . . 152.0(6) 150.8(6) 153.2(6) ?
In5 Ir3 In6 . . . 144.1(4) 143.2(4) 144.9(4) ?
In5 Ir3 In9 . . 2_6565 73.5(4) 72.8(4) 74.2(4) ?
In5 Ir3 In12 . . 2_5565 128.3(4) 127.3(4) 129.3(4) ?
In5 Ir3 In13 . . . 73.3(4) 72.4(4) 74.2(4) ?
In5 Ir3 In15 . . 1_5565 128.5(4) 126.9(4) 130.1(4) ?
In5 Ir3 In19 . . . 69.1(4) 68.5(4) 69.7(4) ?
In6 Ir3 In9 . . 2_6565 92.0(4) 91.2(4) 92.7(4) ?
In6 Ir3 In12 . . 2_5565 78.2(4) 77.8(4) 78.5(4) ?
In6 Ir3 In13 . . . 97.9(4) 96.3(4) 99.6(4) ?
In6 Ir3 In15 . . 1_5565 74.3(4) 73.1(3) 75.6(4) ?
In6 Ir3 In19 . . . 146.6(5) 146.4(5) 146.7(5) ?
In9 Ir3 In12 2_6565 . 2_5565 152.1(5) 151.6(5) 152.5(5) ?
In9 Ir3 In13 2_6565 . . 135.4(5) 134.6(5) 136.1(5) ?
In9 Ir3 In15 2_6565 . 1_5565 72.9(4) 72.5(4) 73.3(4) ?
In9 Ir3 In19 2_6565 . . 97.1(5) 95.8(5) 98.4(5) ?
In12 Ir3 In13 2_5565 . . 72.3(4) 72.0(4) 72.6(4) ?
In12 Ir3 In15 2_5565 . 1_5565 79.3(4) 78.4(4) 80.2(4) ?
In12 Ir3 In19 2_5565 . . 78.9(4) 78.0(4) 79.8(4) ?
In13 Ir3 In15 . . 1_5565 151.6(6) 150.6(6) 152.5(6) ?
In13 Ir3 In19 . . . 97.9(4) 96.8(4) 99.1(4) ?
In15 Ir3 In19 1_5565 . . 77.8(4) 76.9(4) 78.7(4) ?
In2 Ir4 In5 . . 2_4545 83.7(4) 83.5(4) 83.9(4) ?
In2 Ir4 In7 . . . 59.7(4) 59.2(4) 60.3(4) ?
In2 Ir4 In8 . . 2_4545 71.7(4) 70.9(4) 72.5(4) ?
In2 Ir4 In11 . . 2_5545 123.5(4) 122.4(4) 124.6(4) ?
In2 Ir4 In14 . . . 73.1(4) 72.0(4) 74.3(4) ?
In2 Ir4 In16 . . 1_5545 121.9(4) 120.4(4) 123.3(4) ?
In2 Ir4 In20 . . . 154.0(6) 153.6(6) 154.5(6) ?
In5 Ir4 In7 2_4545 . . 143.1(4) 142.6(4) 143.7(4) ?
In5 Ir4 In8 2_4545 . 2_4545 74.7(4) 73.4(4) 75.9(4) ?
In5 Ir4 In11 2_4545 . 2_5545 126.9(4) 125.2(4) 128.5(4) ?
In5 Ir4 In14 2_4545 . . 74.7(4) 73.7(4) 75.7(4) ?
In5 Ir4 In16 2_4545 . 1_5545 127.2(4) 126.2(4) 128.2(4) ?
In5 Ir4 In20 2_4545 . . 70.4(4) 70.0(4) 70.8(4) ?
In7 Ir4 In8 . . 2_4545 95.9(4) 94.0(4) 97.7(4) ?
In7 Ir4 In11 . . 2_5545 76.7(4) 75.4(4) 77.9(4) ?
In7 Ir4 In14 . . . 89.6(4) 88.3(4) 90.9(4) ?
In7 Ir4 In16 . . 1_5545 80.6(4) 79.7(4) 81.4(4) ?
In7 Ir4 In20 . . . 146.2(6) 145.9(6) 146.5(6) ?
In8 Ir4 In11 2_4545 . 2_5545 151.9(5) 151.6(5) 152.1(5) ?
In8 Ir4 In14 2_4545 . . 135.1(5) 134.9(5) 135.4(5) ?
In8 Ir4 In16 2_4545 . 1_5545 72.4(4) 72.1(4) 72.7(4) ?
In8 Ir4 In20 2_4545 . . 99.5(5) 97.7(5) 101.3(5) ?
In11 Ir4 In14 2_5545 . . 72.6(4) 72.2(4) 72.9(4) ?
In11 Ir4 In16 2_5545 . 1_5545 79.6(4) 79.5(4) 79.7(4) ?
In11 Ir4 In20 2_5545 . . 75.6(4) 73.9(4) 77.4(4) ?
In14 Ir4 In16 . . 1_5545 151.9(6) 151.5(6) 152.4(6) ?
In14 Ir4 In20 . . . 100.1(4) 99.0(5) 101.2(4) ?
In16 Ir4 In20 1_5545 . . 75.8(4) 74.2(4) 77.4(4) ?
Ir3 In1 Ir3 . . 2_5655 125.6(6) 123.0(5) 128.3(6) ?
Ir3 In1 In2 . . 1_6665 117.1(3) 115.9(3) 118.4(3) ?
Ir3 In1 In6 . . . 62.8(3) 61.5(3) 64.2(3) ?
Ir3 In1 In9 . . 1_6665 120.7(5) 117.7(5) 123.8(5) ?
Ir3 In1 In9 . . 2_6565 51.2(3) 50.1(3) 52.3(3) ?
Ir3 In1 In13 . . . 52.2(3) 51.3(3) 53.1(3) ?
Ir3 In1 In13 . . 2_5655 123.1(5) 120.1(5) 126.2(5) ?
Ir3 In1 In2 2_5655 . 1_6665 117.1(3) 115.9(3) 118.4(3) ?
Ir3 In1 In6 2_5655 . . 62.8(3) 61.5(3) 64.2(3) ?
Ir3 In1 In9 2_5655 . 1_6665 51.2(3) 50.1(3) 52.3(3) ?
Ir3 In1 In9 2_5655 . 2_6565 120.7(5) 117.7(5) 123.8(5) ?
Ir3 In1 In13 2_5655 . . 123.1(5) 120.1(5) 126.2(5) ?
Ir3 In1 In13 2_5655 . 2_5655 52.2(3) 51.3(3) 53.1(3) ?
In2 In1 In6 1_6665 . . 175.7(7) 172.9(7) 178.6(7) ?
In2 In1 In9 1_6665 . 1_6665 95.5(5) 93.2(5) 97.7(5) ?
In2 In1 In9 1_6665 . 2_6565 95.5(5) 93.2(5) 97.7(5) ?
In2 In1 In13 1_6665 . . 95.8(4) 93.6(4) 98.0(4) ?
In2 In1 In13 1_6665 . 2_5655 95.8(4) 93.6(4) 98.0(4) ?
In6 In1 In9 . . 1_6665 81.2(4) 80.7(4) 81.8(4) ?
In6 In1 In9 . . 2_6565 81.2(4) 80.7(4) 81.8(4) ?
In6 In1 In13 . . . 87.4(4) 85.9(4) 88.9(4) ?
In6 In1 In13 . . 2_5655 87.4(4) 85.9(4) 88.9(4) ?
In9 In1 In9 1_6665 . 2_6565 79.5(4) 75.6(4) 83.4(4) ?
In9 In1 In13 1_6665 . . 168.4(5) 166.4(5) 170.7(5) ?
In9 In1 In13 1_6665 . 2_5655 98.4(3) 96.2(2) 100.6(3) ?
In9 In1 In13 2_6565 . . 98.4(3) 96.2(2) 100.6(3) ?
In9 In1 In13 2_6565 . 2_5655 168.4(5) 166.4(5) 170.7(5) ?
In13 In1 In13 . . 2_5655 81.3(4) 77.4(4) 85.2(4) ?
Ir4 In2 Ir4 . . 2_5455 124.8(6) 123.1(6) 126.6(6) ?
Ir4 In2 In1 . . 1_4445 117.5(3) 116.6(3) 118.4(3) ?
Ir4 In2 In7 . . . 62.5(3) 61.6(3) 63.4(3) ?
Ir4 In2 In8 . . 1_4445 121.2(5) 118.0(5) 124.5(5) ?
Ir4 In2 In8 . . 2_4545 53.1(3) 52.5(3) 53.8(3) ?
Ir4 In2 In14 . . . 52.5(3) 51.5(3) 53.5(3) ?
Ir4 In2 In14 . . 2_5455 119.4(5) 116.9(5) 122.0(5) ?
Ir4 In2 In1 2_5455 . 1_4445 117.5(3) 116.6(3) 118.4(3) ?
Ir4 In2 In7 2_5455 . . 62.5(3) 61.6(3) 63.4(3) ?
Ir4 In2 In8 2_5455 . 1_4445 53.1(3) 52.5(3) 53.8(3) ?
Ir4 In2 In8 2_5455 . 2_4545 121.2(5) 118.0(5) 124.5(5) ?
Ir4 In2 In14 2_5455 . . 119.4(5) 116.9(5) 122.0(5) ?
Ir4 In2 In14 2_5455 . 2_5455 52.5(3) 51.5(3) 53.5(3) ?
In1 In2 In7 1_4445 . . 175.9(7) 172.4(7) 179.3(7) ?
In1 In2 In8 1_4445 . 1_4445 96.1(5) 93.9(5) 98.3(5) ?
In1 In2 In8 1_4445 . 2_4545 96.1(5) 93.9(5) 98.3(5) ?
In1 In2 In14 1_4445 . . 96.2(4) 93.8(4) 98.4(4) ?
In1 In2 In14 1_4445 . 2_5455 96.2(4) 93.8(4) 98.4(4) ?
In7 In2 In8 . . 1_4445 87.0(4) 85.5(4) 88.6(4) ?
In7 In2 In8 . . 2_4545 87.0(4) 85.5(4) 88.6(4) ?
In7 In2 In14 . . . 80.6(4) 79.8(4) 81.4(4) ?
In7 In2 In14 . . 2_5455 80.6(4) 79.8(4) 81.4(4) ?
In8 In2 In8 1_4445 . 2_4545 78.2(4) 74.1(4) 82.3(4) ?
In8 In2 In14 1_4445 . . 167.4(6) 165.6(6) 169.6(6) ?
In8 In2 In14 1_4445 . 2_5455 101.2(3) 99.0(3) 103.3(3) ?
In8 In2 In14 2_4545 . . 101.2(3) 99.0(3) 103.3(3) ?
In8 In2 In14 2_4545 . 2_5455 167.4(6) 165.6(6) 169.6(6) ?
In14 In2 In14 . . 2_5455 76.7(4) 73.0(4) 80.4(4) ?
Ir1 In3 Ir1 . . 2_5555 122.2(5) 122.0(5) 122.4(6) ?
Ir1 In3 In4 . . . 118.8(3) 118.6(3) 118.9(3) ?
Ir1 In3 In11 . . . 52.0(3) 51.4(3) 52.6(3) ?
Ir1 In3 In11 . . 2_5555 119.5(5) 117.7(5) 121.3(5) ?
Ir1 In3 In15 . . . 51.9(3) 51.3(3) 52.4(3) ?
Ir1 In3 In15 . . 2_5555 119.5(5) 117.4(5) 121.5(5) ?
Ir1 In3 In21 . . . 61.2(3) 61.1(3) 61.4(3) ?
Ir1 In3 In4 2_5555 . . 118.8(3) 118.6(3) 118.9(3) ?
Ir1 In3 In11 2_5555 . . 119.5(5) 117.7(5) 121.3(5) ?
Ir1 In3 In11 2_5555 . 2_5555 52.0(3) 51.4(3) 52.6(3) ?
Ir1 In3 In15 2_5555 . . 119.5(5) 117.4(5) 121.5(5) ?
Ir1 In3 In15 2_5555 . 2_5555 51.9(3) 51.3(3) 52.4(3) ?
Ir1 In3 In21 2_5555 . . 61.2(3) 61.1(3) 61.4(3) ?
In4 In3 In11 . . . 97.4(5) 93.8(5) 100.8(5) ?
In4 In3 In11 . . 2_5555 97.4(5) 93.8(5) 100.8(5) ?
In4 In3 In15 . . . 97.3(4) 93.9(4) 100.7(4) ?
In4 In3 In15 . . 2_5555 97.3(4) 93.9(4) 100.7(4) ?
In4 In3 In21 . . . 171.9(7) 167.0(7) 178.3(7) ?
In11 In3 In11 . . 2_5555 78.5(4) 76.8(4) 80.3(4) ?
In11 In3 In15 . . . 99.5(2) 99.3(2) 99.7(2) ?
In11 In3 In15 . . 2_5555 165.2(5) 165.0(6) 165.3(5) ?
In11 In3 In21 . . . 83.9(4) 76.8(4) 90.9(4) ?
In11 In3 In15 2_5555 . . 165.2(5) 165.0(6) 165.3(5) ?
In11 In3 In15 2_5555 . 2_5555 99.5(2) 99.3(2) 99.7(2) ?
In11 In3 In21 2_5555 . . 83.9(4) 76.8(4) 90.9(4) ?
In15 In3 In15 . . 2_5555 78.6(4) 76.4(4) 80.8(4) ?
In15 In3 In21 . . . 81.3(5) 74.2(4) 88.5(5) ?
In15 In3 In21 2_5555 . . 81.3(5) 74.2(4) 88.5(5) ?
Ir2 In4 Ir2 . . 2_5555 124.8(6) 124.4(6) 125.2(6) ?
Ir2 In4 In3 . . . 117.4(3) 117.2(3) 117.6(3) ?
Ir2 In4 In12 . . . 52.0(3) 51.0(3) 53.0(3) ?
Ir2 In4 In12 . . 2_5555 121.1(5) 118.1(5) 124.0(5) ?
Ir2 In4 In16 . . . 51.7(3) 50.7(3) 52.7(3) ?
Ir2 In4 In16 . . 2_5555 121.0(5) 118.6(5) 123.5(6) ?
Ir2 In4 In22 . . . 62.5(3) 62.3(3) 62.6(3) ?
Ir2 In4 In3 2_5555 . . 117.4(3) 117.2(3) 117.6(3) ?
Ir2 In4 In12 2_5555 . . 121.1(5) 118.1(5) 124.0(5) ?
Ir2 In4 In12 2_5555 . 2_5555 52.0(3) 51.0(3) 53.0(3) ?
Ir2 In4 In16 2_5555 . . 121.0(5) 118.6(5) 123.5(6) ?
Ir2 In4 In16 2_5555 . 2_5555 51.7(3) 50.7(3) 52.7(3) ?
Ir2 In4 In22 2_5555 . . 62.5(3) 62.3(3) 62.6(3) ?
In3 In4 In12 . . . 96.1(5) 92.8(5) 99.4(5) ?
In3 In4 In12 . . 2_5555 96.1(5) 92.8(5) 99.4(5) ?
In3 In4 In16 . . . 96.4(4) 92.7(4) 100.1(4) ?
In3 In4 In16 . . 2_5555 96.4(4) 92.7(4) 100.1(4) ?
In3 In4 In22 . . . 171.3(7) 165.2(7) 177.9(8) ?
In12 In4 In12 . . 2_5555 79.3(4) 76.9(4) 81.7(4) ?
In12 In4 In16 . . . 99.1(2) 99.0(2) 99.2(2) ?
In12 In4 In16 . . 2_5555 167.3(5) 166.7(5) 167.6(5) ?
In12 In4 In22 . . . 82.4(5) 74.4(4) 90.3(5) ?
In12 In4 In16 2_5555 . . 167.3(5) 166.7(5) 167.6(5) ?
In12 In4 In16 2_5555 . 2_5555 99.1(2) 99.0(2) 99.2(2) ?
In12 In4 In22 2_5555 . . 82.4(5) 74.4(4) 90.3(5) ?
In16 In4 In16 . . 2_5555 79.6(4) 77.4(4) 81.9(4) ?
In16 In4 In22 . . . 84.9(5) 77.3(5) 92.4(5) ?
In16 In4 In22 2_5555 . . 84.9(5) 77.3(5) 92.4(5) ?
Ir3 In5 Ir4 . . 2_6565 138.6(3) 138.5(3) 138.8(3) ?
Ir3 In5 In5 . . 2_5555 110.1(4) 109.4(4) 110.8(4) ?
Ir3 In5 In8 . . . 109.3(4) 108.4(4) 110.2(4) ?
Ir3 In5 In9 . . 2_6565 50.8(3) 50.4(3) 51.1(3) ?
Ir3 In5 In13 . . . 51.1(3) 51.0(3) 51.2(3) ?
Ir3 In5 In14 . . 2_6565 109.0(4) 107.8(4) 110.1(4) ?
Ir3 In5 In19 . . . 52.2(3) 51.1(3) 53.3(3) ?
Ir3 In5 In20 . . 1_6565 168.6(4) 167.8(4) 169.5(4) ?
Ir3 In5 In21 . . . 101.1(5) 94.8(5) 107.5(5) ?
Ir3 In5 In22 . . 1_6565 100.7(5) 94.9(5) 106.4(5) ?
Ir4 In5 In5 2_6565 . 2_5555 111.2(4) 110.3(4) 112.2(4) ?
Ir4 In5 In8 2_6565 . . 50.8(3) 50.7(3) 51.0(3) ?
Ir4 In5 In9 2_6565 . 2_6565 109.8(4) 108.3(4) 111.3(4) ?
Ir4 In5 In13 2_6565 . . 110.0(4) 108.9(4) 111.1(4) ?
Ir4 In5 In14 2_6565 . 2_6565 50.9(3) 50.5(3) 51.2(3) ?
Ir4 In5 In19 2_6565 . . 169.1(4) 167.9(4) 170.5(4) ?
Ir4 In5 In20 2_6565 . 1_6565 52.7(3) 51.7(3) 53.7(3) ?
Ir4 In5 In21 2_6565 . . 99.6(5) 93.6(5) 105.7(5) ?
Ir4 In5 In22 2_6565 . 1_6565 99.3(5) 93.7(5) 105.0(5) ?
In5 In5 In8 2_5555 . . 115.8(4) 114.0(4) 117.6(4) ?
In5 In5 In9 2_5555 . 2_6565 114.0(4) 112.2(4) 115.9(4) ?
In5 In5 In13 2_5555 . . 113.9(4) 112.2(4) 115.6(4) ?
In5 In5 In14 2_5555 . 2_6565 115.8(4) 114.0(4) 117.5(4) ?
In5 In5 In19 2_5555 . . 58.0(3) 57.6(3) 58.3(3) ?
In5 In5 In20 2_5555 . 1_6565 58.5(3) 58.4(3) 58.7(3) ?
In5 In5 In21 2_5555 . . 59.8(3) 59.6(3) 59.9(3) ?
In5 In5 In22 2_5555 . 1_6565 60.4(3) 60.0(3) 60.6(3) ?
In8 In5 In9 . . 2_6565 130.2(3) 127.6(3) 132.8(3) ?
In8 In5 In13 . . . 62.2(3) 62.0(3) 62.5(3) ?
In8 In5 In14 . . 2_6565 96.0(4) 95.5(4) 96.5(4) ?
In8 In5 In19 . . . 132.1(5) 130.6(5) 133.6(5) ?
In8 In5 In20 . . 1_6565 77.9(4) 76.3(4) 79.4(4) ?
In8 In5 In21 . . . 64.7(4) 62.3(3) 67.3(4) ?
In8 In5 In22 . . 1_6565 148.3(6) 142.5(5) 154.2(6) ?
In9 In5 In13 2_6565 . . 97.1(4) 96.7(4) 97.4(4) ?
In9 In5 In14 2_6565 . 2_6565 62.1(3) 61.8(3) 62.4(3) ?
In9 In5 In19 2_6565 . . 76.4(4) 74.7(4) 78.2(4) ?
In9 In5 In20 2_6565 . 1_6565 131.4(5) 129.3(5) 133.4(5) ?
In9 In5 In21 2_6565 . . 149.5(6) 143.0(6) 156.0(6) ?
In9 In5 In22 2_6565 . 1_6565 64.1(4) 61.6(3) 66.9(4) ?
In13 In5 In14 . . 2_6565 130.3(3) 127.9(3) 132.8(3) ?
In13 In5 In19 . . . 77.3(4) 75.7(4) 78.8(4) ?
In13 In5 In20 . . 1_6565 130.9(5) 128.8(5) 132.9(5) ?
In13 In5 In21 . . . 64.5(4) 61.7(4) 67.6(4) ?
In13 In5 In22 . . 1_6565 149.5(5) 143.7(5) 155.2(5) ?
In14 In5 In19 2_6565 . . 130.7(5) 129.3(5) 132.2(5) ?
In14 In5 In20 2_6565 . 1_6565 78.3(4) 77.1(4) 79.5(4) ?
In14 In5 In21 2_6565 . . 148.5(5) 142.0(5) 154.9(5) ?
In14 In5 In22 2_6565 . 1_6565 64.1(4) 61.6(3) 66.8(4) ?
In19 In5 In20 . . 1_6565 116.5(3) 116.3(3) 116.7(3) ?
In19 In5 In21 . . . 75.9(4) 69.1(4) 82.7(4) ?
In19 In5 In22 . . 1_6565 75.1(4) 68.8(4) 81.4(4) ?
In20 In5 In21 1_6565 . . 73.6(5) 66.5(5) 80.7(4) ?
In20 In5 In22 1_6565 . 1_6565 74.3(5) 67.9(5) 80.8(5) ?
In21 In5 In22 . . 1_6565 119.4(3) 118.8(3) 120.0(3) ?
Ir3 In6 Ir3 . . 2_5655 111.6(5) 111.6(5) 111.7(5) ?
Ir3 In6 In1 . . . 55.8(3) 55.8(3) 55.9(3) ?
Ir3 In6 In10 . . 1_5565 93.1(2) 93.0(2) 93.3(2) ?
Ir3 In6 In10 . . 2_5665 154.1(4) 153.6(4) 154.5(4) ?
Ir3 In6 In15 . . 1_5565 48.7(3) 48.5(3) 48.9(2) ?
Ir3 In6 In15 . . 2_5665 144.3(6) 142.6(6) 145.9(6) ?
Ir3 In6 Se4 . . 1_5565 85.7(4) 85.1(4) 86.3(5) ?
Ir3 In6 In1 2_5655 . . 55.8(3) 55.8(3) 55.9(3) ?
Ir3 In6 In10 2_5655 . 1_5565 154.1(4) 153.6(4) 154.5(4) ?
Ir3 In6 In10 2_5655 . 2_5665 93.1(2) 93.0(2) 93.3(2) ?
Ir3 In6 In15 2_5655 . 1_5565 144.3(6) 142.6(6) 145.9(6) ?
Ir3 In6 In15 2_5655 . 2_5665 48.7(3) 48.5(3) 48.9(2) ?
Ir3 In6 Se4 2_5655 . 1_5565 85.7(4) 85.1(4) 86.3(5) ?
In1 In6 In10 . . 1_5565 148.5(2) 148.2(2) 148.8(2) ?
In1 In6 In10 . . 2_5665 148.5(2) 148.2(2) 148.8(2) ?
In1 In6 In15 . . 1_5565 97.1(4) 96.5(4) 97.7(4) ?
In1 In6 In15 . . 2_5665 97.1(4) 96.5(4) 97.7(4) ?
In1 In6 Se4 . . 1_5565 80.8(6) 79.1(6) 82.6(6) ?
In10 In6 In10 1_5565 . 2_5665 61.4(3) 61.2(3) 61.5(3) ?
In10 In6 In15 1_5565 . 1_5565 59.3(3) 59.0(3) 59.6(3) ?
In10 In6 In15 1_5565 . 2_5665 113.4(4) 113.2(4) 113.6(4) ?
In10 In6 Se4 1_5565 . 1_5565 104.2(5) 102.3(5) 106.2(5) ?
In10 In6 In15 2_5665 . 1_5565 113.4(4) 113.2(4) 113.6(4) ?
In10 In6 In15 2_5665 . 2_5665 59.3(3) 59.0(3) 59.6(3) ?
In10 In6 Se4 2_5665 . 1_5565 104.2(5) 102.3(5) 106.2(5) ?
In15 In6 In15 1_5565 . 2_5665 125.5(5) 123.2(5) 127.8(5) ?
In15 In6 Se4 1_5565 . 1_5565 65.5(3) 63.9(3) 67.1(3) ?
In15 In6 Se4 2_5665 . 1_5565 65.5(3) 63.9(3) 67.1(3) ?
Ir4 In7 Ir4 . . 2_5455 115.6(5) 114.8(5) 116.4(5) ?
Ir4 In7 In2 . . . 57.8(3) 57.4(3) 58.2(3) ?
Ir4 In7 In10 . . 1_5445 151.0(4) 150.6(4) 151.4(4) ?
Ir4 In7 In10 . . 2_5545 92.3(3) 92.1(3) 92.4(3) ?
Ir4 In7 In11 . . 1_5445 147.5(5) 146.7(5) 148.3(5) ?
Ir4 In7 In11 . . 2_5545 49.2(3) 49.1(3) 49.2(3) ?
Ir4 In7 Se2 . . 1_5445 88.8(4) 88.4(4) 89.2(4) ?
Ir4 In7 In2 2_5455 . . 57.8(3) 57.4(3) 58.2(3) ?
Ir4 In7 In10 2_5455 . 1_5445 92.3(3) 92.1(3) 92.4(3) ?
Ir4 In7 In10 2_5455 . 2_5545 151.0(4) 150.6(4) 151.4(4) ?
Ir4 In7 In11 2_5455 . 1_5445 49.2(3) 49.1(3) 49.2(3) ?
Ir4 In7 In11 2_5455 . 2_5545 147.5(5) 146.7(5) 148.3(5) ?
Ir4 In7 Se2 2_5455 . 1_5445 88.8(4) 88.4(4) 89.2(4) ?
In2 In7 In10 . . 1_5445 149.6(2) 149.1(3) 150.1(2) ?
In2 In7 In10 . . 2_5545 149.6(2) 149.1(3) 150.1(2) ?
In2 In7 In11 . . 1_5445 99.3(3) 99.1(3) 99.5(3) ?
In2 In7 In11 . . 2_5545 99.3(3) 99.1(3) 99.5(3) ?
In2 In7 Se2 . . 1_5445 85.6(5) 83.5(5) 87.6(5) ?
In10 In7 In10 1_5445 . 2_5545 59.1(3) 58.7(3) 59.6(3) ?
In10 In7 In11 1_5445 . 1_5445 58.1(3) 57.7(3) 58.6(3) ?
In10 In7 In11 1_5445 . 2_5545 110.2(5) 109.5(5) 110.9(5) ?
In10 In7 Se2 1_5445 . 1_5445 100.2(5) 98.8(5) 101.6(5) ?
In10 In7 In11 2_5545 . 1_5445 110.2(5) 109.5(5) 110.9(5) ?
In10 In7 In11 2_5545 . 2_5545 58.1(3) 57.7(3) 58.6(3) ?
In10 In7 Se2 2_5545 . 1_5445 100.2(5) 98.8(5) 101.6(5) ?
In11 In7 In11 1_5445 . 2_5545 124.5(5) 123.2(5) 125.8(5) ?
In11 In7 Se2 1_5445 . 1_5445 65.0(3) 64.0(3) 66.0(3) ?
In11 In7 Se2 2_5545 . 1_5445 65.0(3) 64.0(3) 66.0(3) ?
Ir1 In8 Ir4 . . 2_6565 148.9(5) 145.7(4) 152.1(5) ?
Ir1 In8 In2 . . 1_6665 130.0(5) 128.3(5) 131.7(5) ?
Ir1 In8 In5 . . . 96.4(4) 94.8(4) 97.9(4) ?
Ir1 In8 In13 . . . 49.6(3) 48.7(3) 50.5(3) ?
Ir1 In8 In15 . . . 53.3(4) 52.3(3) 54.2(4) ?
Ir1 In8 In16 . . 2_6555 132.8(4) 130.6(4) 135.0(4) ?
Ir1 In8 In17 . . . 51.1(3) 50.9(3) 51.4(3) ?
Ir1 In8 In21 . . . 54.6(4) 52.9(4) 56.5(4) ?
Ir1 In8 Se4 . . . 104.7(8) 101.6(8) 107.9(8) ?
Ir4 In8 In2 2_6565 . 1_6665 55.2(3) 54.9(3) 55.4(3) ?
Ir4 In8 In5 2_6565 . . 54.5(3) 53.3(3) 55.7(4) ?
Ir4 In8 In13 2_6565 . . 109.9(4) 108.4(4) 111.4(4) ?
Ir4 In8 In15 2_6565 . . 135.3(5) 133.7(4) 136.8(5) ?
Ir4 In8 In16 2_6565 . 2_6555 54.0(4) 53.6(4) 54.3(4) ?
Ir4 In8 In17 2_6565 . . 146.1(4) 144.1(4) 148.3(4) ?
Ir4 In8 In21 2_6565 . . 96.2(4) 91.8(4) 100.4(4) ?
Ir4 In8 Se4 2_6565 . . 106.1(8) 103.2(8) 109.0(8) ?
In2 In8 In5 1_6665 . . 69.4(3) 68.8(3) 70.0(3) ?
In2 In8 In13 1_6665 . . 84.9(4) 83.5(4) 86.4(4) ?
In2 In8 In15 1_6665 . . 159.5(4) 155.3(4) 163.7(4) ?
In2 In8 In16 1_6665 . 2_6555 96.9(4) 95.8(4) 98.0(4) ?
In2 In8 In17 1_6665 . . 91.1(4) 89.0(4) 93.2(4) ?
In2 In8 In21 1_6665 . . 125.3(5) 124.1(5) 126.4(5) ?
In2 In8 Se4 1_6665 . . 87.6(5) 83.9(5) 91.3(5) ?
In5 In8 In13 . . . 58.5(3) 57.4(3) 59.6(3) ?
In5 In8 In15 . . . 130.8(4) 127.4(4) 134.3(4) ?
In5 In8 In16 . . 2_6555 98.5(4) 96.4(4) 100.8(4) ?
In5 In8 In17 . . . 115.8(4) 114.4(4) 117.3(5) ?
In5 In8 In21 . . . 56.9(4) 56.3(4) 57.7(4) ?
In5 In8 Se4 . . . 155.6(7) 152.5(7) 158.8(7) ?
In13 In8 In15 . . . 102.8(4) 100.7(4) 104.7(4) ?
In13 In8 In16 . . 2_6555 154.8(4) 150.1(4) 159.3(4) ?
In13 In8 In17 . . . 59.3(3) 58.6(3) 60.0(3) ?
In13 In8 In21 . . . 60.6(4) 57.4(3) 64.0(4) ?
In13 In8 Se4 . . . 129.3(7) 125.3(6) 133.3(7) ?
In15 In8 In16 . . 2_6555 84.0(4) 82.9(4) 85.1(4) ?
In15 In8 In17 . . . 77.2(4) 75.8(4) 78.5(4) ?
In15 In8 In21 . . . 74.2(4) 69.7(4) 78.7(4) ?
In15 In8 Se4 . . . 72.8(5) 70.4(5) 75.1(5) ?
In16 In8 In17 2_6555 . . 145.2(5) 141.4(5) 149.1(5) ?
In16 In8 In21 2_6555 . . 99.3(4) 90.8(4) 107.7(4) ?
In16 In8 Se4 2_6555 . . 75.8(6) 74.7(6) 76.9(7) ?
In17 In8 In21 . . . 103.2(5) 100.7(4) 105.9(5) ?
In17 In8 Se4 . . . 70.8(7) 66.4(7) 75.3(7) ?
In21 In8 Se4 . . . 146.5(6) 141.8(6) 150.5(7) ?
Ir2 In9 Ir3 . . 2_4545 152.4(5) 149.5(4) 155.3(5) ?
Ir2 In9 In1 . . 1_4445 129.4(5) 126.6(5) 132.2(5) ?
Ir2 In9 In5 . . 2_4545 98.3(4) 97.2(4) 99.3(4) ?
Ir2 In9 In14 . . . 50.9(3) 50.6(3) 51.2(3) ?
Ir2 In9 In15 . . 2_4555 134.7(4) 131.8(4) 137.7(5) ?
Ir2 In9 In16 . . . 53.8(4) 52.8(4) 54.7(4) ?
Ir2 In9 In18 . . . 51.4(3) 50.9(3) 51.9(3) ?
Ir2 In9 In22 . . . 54.4(4) 53.2(4) 56.0(4) ?
Ir2 In9 Se4 . . 1_4455 108.0(8) 104.9(8) 111.1(8) ?
Ir3 In9 In1 2_4545 . 1_4445 54.4(3) 54.0(3) 54.8(3) ?
Ir3 In9 In5 2_4545 . 2_4545 55.7(4) 54.7(3) 56.8(4) ?
Ir3 In9 In14 2_4545 . . 111.1(4) 110.2(4) 112.2(4) ?
Ir3 In9 In15 2_4545 . 2_4555 53.8(4) 53.5(3) 54.1(4) ?
Ir3 In9 In16 2_4545 . . 136.4(5) 133.8(5) 139.1(5) ?
Ir3 In9 In18 2_4545 . . 143.9(4) 141.1(4) 146.6(4) ?
Ir3 In9 In22 2_4545 . . 99.8(4) 95.6(4) 103.8(4) ?
Ir3 In9 Se4 2_4545 . 1_4455 99.3(8) 96.9(8) 101.8(8) ?
In1 In9 In5 1_4445 . 2_4545 68.8(3) 68.2(3) 69.4(3) ?
In1 In9 In14 1_4445 . . 83.3(4) 80.7(4) 85.9(4) ?
In1 In9 In15 1_4445 . 2_4555 95.6(4) 94.2(4) 97.1(4) ?
In1 In9 In16 1_4445 . . 156.3(4) 152.1(4) 160.5(4) ?
In1 In9 In18 1_4445 . . 89.5(4) 87.0(3) 92.0(4) ?
In1 In9 In22 1_4445 . . 125.8(5) 124.1(5) 127.3(5) ?
In1 In9 Se4 1_4445 . 1_4455 80.9(5) 77.3(5) 84.7(5) ?
In5 In9 In14 2_4545 . . 59.4(3) 58.7(3) 60.1(3) ?
In5 In9 In15 2_4545 . 2_4555 100.5(4) 98.2(4) 102.7(4) ?
In5 In9 In16 2_4545 . . 134.5(4) 131.1(4) 137.9(4) ?
In5 In9 In18 2_4545 . . 116.3(5) 115.8(5) 116.9(5) ?
In5 In9 In22 2_4545 . . 58.4(4) 57.6(4) 59.4(4) ?
In5 In9 Se4 2_4545 . 1_4455 148.3(7) 146.0(6) 150.6(7) ?
In14 In9 In15 . . 2_4555 158.7(4) 154.5(4) 162.7(4) ?
In14 In9 In16 . . . 104.7(4) 103.3(4) 105.9(4) ?
In14 In9 In18 . . . 59.0(3) 58.1(3) 60.0(3) ?
In14 In9 In22 . . . 61.3(4) 58.0(3) 64.8(4) ?
In14 In9 Se4 . . 1_4455 127.3(6) 121.4(6) 133.2(6) ?
In15 In9 In16 2_4555 . . 84.5(4) 82.7(4) 86.3(4) ?
In15 In9 In18 2_4555 . . 141.9(5) 138.9(4) 144.9(5) ?
In15 In9 In22 2_4555 . . 104.0(4) 95.2(4) 112.5(4) ?
In15 In9 Se4 2_4555 . 1_4455 72.9(6) 70.2(6) 75.8(7) ?
In16 In9 In18 . . . 76.4(4) 75.1(4) 77.8(4) ?
In16 In9 In22 . . . 76.4(4) 71.8(4) 81.0(4) ?
In16 In9 Se4 . . 1_4455 76.4(5) 75.7(5) 77.2(5) ?
In18 In9 In22 . . . 103.1(5) 100.1(4) 106.2(5) ?
In18 In9 Se4 . . 1_4455 70.8(7) 65.6(7) 76.0(7) ?
In22 In9 Se4 . . 1_4455 152.3(7) 147.7(6) 156.0(7) ?
Ir1 In10 Ir2 . . 2_5555 138.7(3) 138.6(3) 138.8(3) ?
Ir1 In10 In6 . . 1_5545 97.7(5) 96.8(5) 98.6(5) ?
Ir1 In10 In7 . . 1_5665 97.7(4) 97.3(4) 98.0(4) ?
Ir1 In10 In10 . . 2_5655 110.8(4) 110.6(4) 111.0(4) ?
Ir1 In10 In11 . . . 50.9(3) 50.9(3) 51.0(3) ?
Ir1 In10 In12 . . 2_5555 109.7(4) 109.1(4) 110.2(4) ?
Ir1 In10 In15 . . . 50.9(3) 50.6(3) 51.1(3) ?
Ir1 In10 In16 . . 2_5555 110.2(4) 109.8(4) 110.6(4) ?
Ir1 In10 In17 . . . 53.1(3) 52.7(3) 53.5(3) ?
Ir1 In10 In18 . . 1_5655 169.1(4) 168.6(4) 169.7(3) ?
Ir2 In10 In6 2_5555 . 1_5545 102.9(4) 102.3(4) 103.5(4) ?
Ir2 In10 In7 2_5555 . 1_5665 102.5(5) 102.2(5) 102.8(5) ?
Ir2 In10 In10 2_5555 . 2_5655 110.5(4) 110.4(4) 110.6(4) ?
Ir2 In10 In11 2_5555 . . 109.5(4) 108.9(4) 110.1(4) ?
Ir2 In10 In12 2_5555 . 2_5555 50.8(3) 50.4(3) 51.1(3) ?
Ir2 In10 In15 2_5555 . . 109.4(4) 108.6(4) 110.2(4) ?
Ir2 In10 In16 2_5555 . 2_5555 50.4(3) 50.1(3) 50.8(3) ?
Ir2 In10 In17 2_5555 . . 168.2(4) 167.9(4) 168.6(4) ?
Ir2 In10 In18 2_5555 . 1_5655 52.1(3) 51.6(3) 52.5(3) ?
In6 In10 In7 1_5545 . 1_5665 119.4(3) 119.2(3) 119.7(3) ?
In6 In10 In10 1_5545 . 2_5655 59.3(3) 59.2(3) 59.4(3) ?
In6 In10 In11 1_5545 . . 146.3(5) 145.2(5) 147.4(5) ?
In6 In10 In12 1_5545 . 2_5555 66.2(3) 65.8(3) 66.7(3) ?
In6 In10 In15 1_5545 . . 63.3(3) 63.0(3) 63.5(3) ?
In6 In10 In16 1_5545 . 2_5555 151.1(5) 149.9(5) 152.3(5) ?
In6 In10 In17 1_5545 . . 72.2(4) 71.1(4) 73.3(4) ?
In6 In10 In18 1_5545 . 1_5655 77.9(4) 75.6(4) 80.1(4) ?
In7 In10 In10 1_5665 . 2_5655 60.4(3) 60.2(3) 60.7(3) ?
In7 In10 In11 1_5665 . . 62.5(3) 62.3(3) 62.7(3) ?
In7 In10 In12 1_5665 . 2_5555 151.3(5) 150.7(5) 152.0(5) ?
In7 In10 In15 1_5665 . . 146.5(5) 145.7(5) 147.2(5) ?
In7 In10 In16 1_5665 . 2_5555 65.4(3) 64.8(3) 66.0(3) ?
In7 In10 In17 1_5665 . . 71.9(4) 70.6(4) 73.3(4) ?
In7 In10 In18 1_5665 . 1_5655 76.5(4) 74.4(4) 78.5(4) ?
In10 In10 In11 2_5655 . . 115.1(4) 114.5(4) 115.7(4) ?
In10 In10 In12 2_5655 . 2_5555 114.6(4) 113.9(4) 115.2(4) ?
In10 In10 In15 2_5655 . . 115.0(4) 114.5(4) 115.6(4) ?
In10 In10 In16 2_5655 . 2_5555 114.5(4) 113.8(4) 115.3(4) ?
In10 In10 In17 2_5655 . . 57.8(3) 57.5(3) 58.0(3) ?
In10 In10 In18 2_5655 . 1_5655 58.5(3) 58.1(3) 58.8(3) ?
In11 In10 In12 . . 2_5555 130.3(3) 129.1(3) 131.6(3) ?
In11 In10 In15 . . . 96.5(4) 96.5(4) 96.6(4) ?
In11 In10 In16 . . 2_5555 62.6(3) 62.4(3) 62.9(3) ?
In11 In10 In17 . . . 77.6(4) 75.7(4) 79.4(4) ?
In11 In10 In18 . . 1_5655 130.3(5) 128.5(5) 132.1(5) ?
In12 In10 In15 2_5555 . . 62.2(3) 62.1(3) 62.3(3) ?
In12 In10 In16 2_5555 . 2_5555 96.3(4) 96.2(4) 96.3(4) ?
In12 In10 In17 2_5555 . . 131.9(5) 129.8(5) 134.0(5) ?
In12 In10 In18 2_5555 . 1_5655 77.8(4) 76.5(4) 79.1(4) ?
In15 In10 In16 . . 2_5555 130.4(3) 129.1(3) 131.7(3) ?
In15 In10 In17 . . . 78.3(4) 76.4(4) 80.3(4) ?
In15 In10 In18 . . 1_5655 132.2(5) 130.5(5) 134.0(5) ?
In16 In10 In17 2_5555 . . 131.2(5) 129.2(5) 133.3(5) ?
In16 In10 In18 2_5555 . 1_5655 75.9(4) 74.6(4) 77.2(4) ?
In17 In10 In18 . . 1_5655 116.1(3) 115.8(3) 116.4(3) ?
Ir1 In11 Ir4 . . 2_5565 150.1(4) 148.8(4) 151.4(4) ?
Ir1 In11 In3 . . . 55.5(3) 54.9(3) 56.2(3) ?
Ir1 In11 In7 . . 1_5665 98.2(4) 98.1(4) 98.3(4) ?
Ir1 In11 In10 . . . 55.0(3) 54.5(3) 55.5(3) ?
Ir1 In11 In13 . . . 53.5(4) 53.3(4) 53.7(4) ?
Ir1 In11 In14 . . 2_5565 135.3(5) 134.1(5) 136.5(5) ?
Ir1 In11 In16 . . 2_5555 110.3(4) 109.1(4) 111.5(4) ?
Ir1 In11 In20 . . 1_5565 144.2(4) 143.2(4) 145.3(4) ?
Ir1 In11 Se1 . . . 104.6(6) 97.5(6) 111.8(6) ?
Ir4 In11 In3 2_5565 . . 128.6(5) 126.9(5) 130.4(5) ?
Ir4 In11 In7 2_5565 . 1_5665 54.2(3) 53.0(3) 55.4(3) ?
Ir4 In11 In10 2_5565 . . 96.9(4) 96.0(4) 97.8(4) ?
Ir4 In11 In13 2_5565 . . 134.5(4) 132.1(4) 136.9(4) ?
Ir4 In11 In14 2_5565 . 2_5565 53.6(4) 53.0(4) 54.2(4) ?
Ir4 In11 In16 2_5565 . 2_5555 50.2(3) 50.0(3) 50.4(3) ?
Ir4 In11 In20 2_5565 . 1_5565 52.0(3) 50.7(3) 53.2(3) ?
Ir4 In11 Se1 2_5565 . . 105.2(6) 99.4(6) 110.9(6) ?
In3 In11 In7 . . 1_5665 126.9(4) 126.6(4) 127.2(4) ?
In3 In11 In10 . . . 68.5(3) 68.3(3) 68.6(3) ?
In3 In11 In13 . . . 96.9(4) 96.0(4) 97.8(4) ?
In3 In11 In14 . . 2_5565 159.6(4) 158.1(4) 161.0(4) ?
In3 In11 In16 . . 2_5555 82.8(4) 81.1(4) 84.5(4) ?
In3 In11 In20 . . 1_5565 88.7(3) 87.1(4) 90.3(3) ?
In3 In11 Se1 . . . 86.0(4) 82.3(4) 89.5(4) ?
In7 In11 In10 1_5665 . . 59.4(3) 59.2(3) 59.6(3) ?
In7 In11 In13 1_5665 . . 100.3(3) 97.8(3) 102.8(3) ?
In7 In11 In14 1_5665 . 2_5565 72.3(3) 70.8(3) 73.9(3) ?
In7 In11 In16 1_5665 . 2_5555 63.0(3) 62.6(3) 63.3(3) ?
In7 In11 In20 1_5665 . 1_5565 104.0(4) 103.0(4) 104.9(4) ?
In7 In11 Se1 1_5665 . . 146.7(5) 142.3(5) 150.5(5) ?
In10 In11 In13 . . . 99.4(4) 98.8(4) 99.9(4) ?
In10 In11 In14 . . 2_5565 131.5(4) 130.0(4) 133.1(4) ?
In10 In11 In16 . . 2_5555 58.8(3) 58.1(3) 59.4(3) ?
In10 In11 In20 . . 1_5565 115.0(4) 114.3(4) 115.7(4) ?
In10 In11 Se1 . . . 153.2(5) 148.0(6) 158.0(5) ?
In13 In11 In14 . . 2_5565 84.6(4) 83.3(4) 86.0(4) ?
In13 In11 In16 . . 2_5555 156.7(4) 155.6(4) 157.7(4) ?
In13 In11 In20 . . 1_5565 144.6(4) 143.0(4) 146.1(4) ?
In13 In11 Se1 . . . 75.7(5) 72.1(5) 79.4(5) ?
In14 In11 In16 2_5565 . 2_5555 103.8(4) 103.4(4) 104.2(4) ?
In14 In11 In20 2_5565 . 1_5565 78.8(4) 76.8(4) 80.9(4) ?
In14 In11 Se1 2_5565 . . 74.7(4) 72.0(4) 77.5(4) ?
In16 In11 In20 2_5555 . 1_5565 58.5(3) 57.4(3) 59.7(3) ?
In16 In11 Se1 2_5555 . . 127.3(5) 122.6(5) 132.0(5) ?
In20 In11 Se1 1_5565 . . 70.1(5) 64.3(5) 75.9(5) ?
Ir2 In12 Ir3 . . 2_5545 151.4(4) 150.6(4) 152.2(5) ?
Ir2 In12 In4 . . . 54.8(3) 54.4(3) 55.3(3) ?
Ir2 In12 In10 . . 2_5555 55.3(3) 55.0(3) 55.6(3) ?
Ir2 In12 In13 . . 2_5545 136.8(5) 135.5(5) 138.2(5) ?
Ir2 In12 In14 . . . 54.2(4) 54.0(4) 54.4(4) ?
Ir2 In12 In15 . . 2_5555 110.4(4) 109.4(4) 111.4(4) ?
Ir2 In12 In19 . . 1_5545 145.3(4) 144.0(4) 146.7(4) ?
Ir2 In12 Se1 . . 1_5545 101.1(6) 94.4(6) 107.8(6) ?
Ir3 In12 In4 2_5545 . . 128.9(5) 127.1(5) 130.7(5) ?
Ir3 In12 In10 2_5545 . 2_5555 97.6(4) 97.0(4) 98.2(4) ?
Ir3 In12 In13 2_5545 . 2_5545 53.9(4) 53.5(4) 54.4(4) ?
Ir3 In12 In14 2_5545 . . 133.9(4) 131.9(4) 135.9(4) ?
Ir3 In12 In15 2_5545 . 2_5555 50.4(3) 50.1(3) 50.7(3) ?
Ir3 In12 In19 2_5545 . 1_5545 49.9(3) 48.9(3) 50.9(3) ?
Ir3 In12 Se1 2_5545 . 1_5545 107.5(6) 101.5(6) 113.5(6) ?
In4 In12 In10 . . 2_5555 68.9(3) 68.4(3) 69.5(3) ?
In4 In12 In13 . . 2_5545 156.5(4) 155.3(4) 157.6(4) ?
In4 In12 In14 . . . 97.2(4) 96.1(4) 98.2(4) ?
In4 In12 In15 . . 2_5555 83.6(4) 82.2(4) 84.9(4) ?
In4 In12 In19 . . 1_5545 90.5(3) 88.7(3) 92.3(3) ?
In4 In12 Se1 . . 1_5545 83.5(4) 80.6(4) 86.3(4) ?
In10 In12 In13 2_5555 . 2_5545 134.1(4) 132.9(4) 135.4(4) ?
In10 In12 In14 2_5555 . . 99.5(4) 98.8(4) 100.3(4) ?
In10 In12 In15 2_5555 . 2_5555 58.8(3) 58.5(3) 59.1(3) ?
In10 In12 In19 2_5555 . 1_5545 115.7(4) 115.4(4) 116.0(4) ?
In10 In12 Se1 2_5555 . 1_5545 150.6(5) 145.5(6) 155.4(5) ?
In13 In12 In14 2_5545 . . 84.3(4) 83.1(4) 85.4(4) ?
In13 In12 In15 2_5545 . 2_5555 104.3(4) 104.1(4) 104.5(4) ?
In13 In12 In19 2_5545 . 1_5545 75.6(4) 73.8(4) 77.4(4) ?
In13 In12 Se1 2_5545 . 1_5545 74.4(4) 71.6(4) 77.4(5) ?
In14 In12 In15 . . 2_5555 156.6(4) 155.0(4) 158.2(4) ?
In14 In12 In19 . . 1_5545 144.2(4) 143.2(4) 145.1(4) ?
In14 In12 Se1 . . 1_5545 73.8(5) 70.4(4) 77.4(5) ?
In15 In12 In19 2_5555 . 1_5545 58.8(3) 58.4(3) 59.1(3) ?
In15 In12 Se1 2_5555 . 1_5545 129.3(5) 124.2(5) 134.2(5) ?
In19 In12 Se1 1_5545 . 1_5545 72.6(5) 66.6(5) 78.7(5) ?
Ir1 In13 Ir3 . . . 152.1(5) 148.9(5) 155.2(5) ?
Ir1 In13 In1 . . . 128.7(5) 127.2(5) 130.3(5) ?
Ir1 In13 In5 . . . 97.9(4) 96.5(4) 99.2(4) ?
Ir1 In13 In8 . . . 50.8(3) 50.0(3) 51.4(4) ?
Ir1 In13 In11 . . . 54.1(4) 53.3(4) 54.8(4) ?
Ir1 In13 In12 . . 2_5565 135.4(5) 133.0(5) 137.7(5) ?
Ir1 In13 In17 . . . 51.1(3) 50.7(2) 51.5(3) ?
Ir1 In13 In21 . . . 55.2(4) 54.0(4) 56.6(4) ?
Ir1 In13 Se2 . . . 102.1(5) 99.6(5) 104.6(5) ?
Ir3 In13 In1 . . . 55.0(3) 54.4(3) 55.6(3) ?
Ir3 In13 In5 . . . 55.6(4) 54.6(3) 56.7(4) ?
Ir3 In13 In8 . . . 110.8(5) 109.9(5) 111.7(5) ?
Ir3 In13 In11 . . . 136.5(5) 134.9(5) 138.1(5) ?
Ir3 In13 In12 . . 2_5565 53.8(4) 53.4(4) 54.2(4) ?
Ir3 In13 In17 . . . 143.9(4) 141.2(4) 146.4(5) ?
Ir3 In13 In21 . . . 98.8(4) 94.7(4) 102.7(4) ?
Ir3 In13 Se2 . . . 105.7(5) 103.3(5) 108.0(5) ?
In1 In13 In5 . . . 69.4(3) 68.7(3) 70.1(3) ?
In1 In13 In8 . . . 83.0(4) 81.4(4) 84.6(4) ?
In1 In13 In11 . . . 155.9(4) 151.9(4) 159.9(4) ?
In1 In13 In12 . . 2_5565 95.7(4) 94.3(4) 97.1(4) ?
In1 In13 In17 . . . 88.9(3) 86.7(3) 91.1(4) ?
In1 In13 In21 . . . 125.3(5) 123.5(5) 127.0(5) ?
In1 In13 Se2 . . . 84.4(4) 80.6(4) 88.2(4) ?
In5 In13 In8 . . . 59.3(3) 58.4(3) 60.1(3) ?
In5 In13 In11 . . . 134.3(4) 131.1(4) 137.5(4) ?
In5 In13 In12 . . 2_5565 100.6(4) 98.5(4) 102.6(4) ?
In5 In13 In17 . . . 116.0(5) 115.4(5) 116.6(5) ?
In5 In13 In21 . . . 57.4(4) 56.4(4) 58.5(4) ?
In5 In13 Se2 . . . 153.3(5) 150.5(5) 156.1(5) ?
In8 In13 In11 . . . 104.8(4) 103.2(4) 106.2(4) ?
In8 In13 In12 . . 2_5565 158.9(4) 154.9(4) 162.6(5) ?
In8 In13 In17 . . . 58.8(3) 58.4(3) 59.2(3) ?
In8 In13 In21 . . . 61.3(4) 58.0(3) 64.8(4) ?
In8 In13 Se2 . . . 123.5(5) 119.1(5) 127.8(5) ?
In11 In13 In12 . . 2_5565 84.8(4) 83.8(4) 85.8(4) ?
In11 In13 In17 . . . 76.5(4) 75.5(4) 77.5(4) ?
In11 In13 In21 . . . 77.2(4) 72.6(4) 81.8(4) ?
In11 In13 Se2 . . . 72.2(4) 70.5(4) 74.0(5) ?
In12 In13 In17 2_5565 . . 142.1(5) 138.5(5) 145.7(5) ?
In12 In13 In21 2_5565 . . 104.2(4) 95.7(4) 112.5(4) ?
In12 In13 Se2 2_5565 . . 76.9(5) 76.3(4) 77.6(5) ?
In17 In13 In21 . . . 103.3(4) 100.9(4) 105.9(4) ?
In17 In13 Se2 . . . 66.2(4) 62.6(4) 69.8(4) ?
In21 In13 Se2 . . . 148.7(6) 144.8(6) 151.8(6) ?
Ir2 In14 Ir4 . . . 149.2(5) 146.3(5) 152.1(5) ?
Ir2 In14 In2 . . . 130.3(5) 127.7(5) 132.9(5) ?
Ir2 In14 In5 . . 2_4545 96.7(4) 95.6(4) 97.7(4) ?
Ir2 In14 In9 . . . 49.8(3) 49.2(3) 50.4(3) ?
Ir2 In14 In11 . . 2_5545 132.8(5) 129.8(4) 135.7(5) ?
Ir2 In14 In12 . . . 53.3(4) 52.4(4) 54.2(4) ?
Ir2 In14 In18 . . . 51.0(2) 50.7(2) 51.4(3) ?
Ir2 In14 In22 . . . 54.0(4) 52.4(3) 56.0(4) ?
Ir2 In14 Se2 . . 1_5445 110.8(6) 108.6(5) 113.0(6) ?
Ir4 In14 In2 . . . 54.4(3) 54.3(3) 54.5(3) ?
Ir4 In14 In5 . . 2_4545 54.5(4) 53.2(3) 55.8(4) ?
Ir4 In14 In9 . . . 109.8(5) 108.5(5) 111.1(5) ?
Ir4 In14 In11 . . 2_5545 53.8(4) 53.5(4) 54.2(4) ?
Ir4 In14 In12 . . . 135.5(5) 133.1(4) 137.9(5) ?
Ir4 In14 In18 . . . 145.5(5) 142.6(4) 148.4(5) ?
Ir4 In14 In22 . . . 97.2(4) 93.1(4) 101.1(4) ?
Ir4 In14 Se2 . . 1_5445 99.7(5) 97.8(5) 101.6(5) ?
In2 In14 In5 . . 2_4545 68.8(3) 68.2(3) 69.3(3) ?
In2 In14 In9 . . . 84.9(4) 82.3(4) 87.4(4) ?
In2 In14 In11 . . 2_5545 96.7(4) 95.5(4) 97.7(4) ?
In2 In14 In12 . . . 159.6(4) 155.7(4) 163.7(4) ?
In2 In14 In18 . . . 91.2(4) 88.2(3) 94.3(4) ?
In2 In14 In22 . . . 125.8(5) 124.2(5) 127.2(5) ?
In2 In14 Se2 . . 1_5445 83.8(4) 80.5(4) 87.2(4) ?
In5 In14 In9 2_4545 . . 58.5(3) 57.6(3) 59.4(3) ?
In5 In14 In11 2_4545 . 2_5545 98.1(4) 95.7(4) 100.6(4) ?
In5 In14 In12 2_4545 . . 131.3(4) 128.0(3) 134.7(4) ?
In5 In14 In18 2_4545 . . 115.1(5) 114.9(5) 115.3(5) ?
In5 In14 In22 2_4545 . . 58.0(4) 57.1(4) 59.0(4) ?
In5 In14 Se2 2_4545 . 1_5445 149.8(5) 148.0(5) 151.5(6) ?
In9 In14 In11 . . 2_5545 154.3(4) 149.6(4) 159.0(4) ?
In9 In14 In12 . . . 103.0(4) 101.3(4) 104.6(4) ?
In9 In14 In18 . . . 58.7(3) 57.8(3) 59.5(3) ?
In9 In14 In22 . . . 60.8(4) 57.7(3) 64.2(4) ?
In9 In14 Se2 . . 1_5445 133.2(5) 128.0(4) 138.3(5) ?
In11 In14 In12 2_5545 . . 84.1(4) 82.6(4) 85.5(4) ?
In11 In14 In18 2_5545 . . 146.2(5) 143.2(5) 149.3(5) ?
In11 In14 In22 2_5545 . . 99.1(4) 90.4(4) 107.5(4) ?
In11 In14 Se2 2_5545 . 1_5445 72.1(4) 70.1(4) 74.3(4) ?
In12 In14 In18 . . . 77.6(4) 76.6(4) 78.6(4) ?
In12 In14 In22 . . . 73.6(4) 69.0(4) 78.2(4) ?
In12 In14 Se2 . . 1_5445 77.1(5) 76.4(5) 77.7(5) ?
In18 In14 In22 . . . 102.5(4) 99.5(4) 105.7(4) ?
In18 In14 Se2 . . 1_5445 76.3(4) 72.0(4) 80.6(4) ?
In22 In14 Se2 . . 1_5445 149.7(6) 144.1(6) 154.8(6) ?
Ir1 In15 Ir3 . . 1_5545 151.1(5) 149.9(5) 152.3(5) ?
Ir1 In15 In3 . . . 55.5(3) 55.2(3) 55.8(3) ?
Ir1 In15 In6 . . 1_5545 96.2(4) 95.7(4) 96.8(4) ?
Ir1 In15 In8 . . . 54.1(4) 53.9(4) 54.4(4) ?
Ir1 In15 In9 . . 2_6555 136.6(5) 135.4(5) 137.7(5) ?
Ir1 In15 In10 . . . 55.0(3) 54.8(3) 55.2(3) ?
Ir1 In15 In12 . . 2_5555 110.6(5) 109.5(5) 111.6(5) ?
Ir1 In15 In19 . . 1_5545 146.1(4) 144.6(4) 147.6(4) ?
Ir1 In15 Se3 . . . 102.3(6) 94.4(6) 110.2(6) ?
Ir3 In15 In3 1_5545 . . 128.4(5) 126.5(5) 130.3(5) ?
Ir3 In15 In6 1_5545 . 1_5545 56.9(3) 55.8(3) 58.0(3) ?
Ir3 In15 In8 1_5545 . . 133.1(5) 130.5(4) 135.7(5) ?
Ir3 In15 In9 1_5545 . 2_6555 53.3(4) 52.7(4) 54.0(4) ?
Ir3 In15 In10 1_5545 . . 97.7(4) 96.5(4) 99.0(4) ?
Ir3 In15 In12 1_5545 . 2_5555 50.3(3) 49.7(3) 50.9(3) ?
Ir3 In15 In19 1_5545 . 1_5545 50.4(2) 49.5(2) 51.3(2) ?
Ir3 In15 Se3 1_5545 . . 106.5(6) 99.9(6) 113.1(6) ?
In3 In15 In6 . . 1_5545 125.1(5) 124.5(5) 125.8(5) ?
In3 In15 In8 . . . 98.5(4) 97.4(4) 99.6(4) ?
In3 In15 In9 . . 2_6555 157.6(4) 156.3(4) 158.9(4) ?
In3 In15 In10 . . . 68.4(3) 68.2(3) 68.7(3) ?
In3 In15 In12 . . 2_5555 83.0(4) 81.5(4) 84.4(4) ?
In3 In15 In19 . . 1_5545 90.5(3) 88.8(3) 92.3(3) ?
In3 In15 Se3 . . . 84.9(4) 81.5(4) 88.3(4) ?
In6 In15 In8 1_5545 . . 97.9(3) 94.9(3) 100.8(3) ?
In6 In15 In9 1_5545 . 2_6555 76.0(4) 75.0(4) 76.9(4) ?
In6 In15 In10 1_5545 . . 57.4(3) 56.8(3) 58.0(3) ?
In6 In15 In12 1_5545 . 2_5555 63.0(3) 62.1(3) 63.9(3) ?
In6 In15 In19 1_5545 . 1_5545 105.3(4) 105.0(4) 105.7(4) ?
In6 In15 Se3 1_5545 . . 149.5(6) 146.3(6) 151.7(6) ?
In8 In15 In9 . . 2_6555 84.2(4) 82.7(4) 85.7(4) ?
In8 In15 In10 . . . 98.9(4) 98.3(4) 99.6(4) ?
In8 In15 In12 . . 2_5555 155.8(4) 154.6(4) 156.9(4) ?
In8 In15 In19 . . 1_5545 143.7(5) 143.1(5) 144.2(5) ?
In8 In15 Se3 . . . 75.1(5) 70.4(5) 80.1(5) ?
In9 In15 In10 2_6555 . . 133.3(3) 131.7(3) 135.0(3) ?
In9 In15 In12 2_6555 . 2_5555 103.6(4) 103.6(4) 103.6(4) ?
In9 In15 In19 2_6555 . 1_5545 75.1(4) 73.0(4) 77.2(4) ?
In9 In15 Se3 2_6555 . . 74.4(5) 71.5(5) 77.4(5) ?
In10 In15 In12 . . 2_5555 59.0(3) 58.6(3) 59.4(3) ?
In10 In15 In19 . . 1_5545 117.0(5) 116.1(5) 117.8(5) ?
In10 In15 Se3 . . . 151.4(5) 145.6(6) 156.8(5) ?
In12 In15 In19 2_5555 . 1_5545 59.9(3) 59.4(3) 60.4(3) ?
In12 In15 Se3 2_5555 . . 128.9(5) 122.9(5) 134.7(5) ?
In19 In15 Se3 1_5545 . . 71.0(5) 64.1(5) 77.8(5) ?
Ir2 In16 Ir4 . . 1_5565 150.6(5) 149.9(5) 151.3(5) ?
Ir2 In16 In4 . . . 55.0(3) 54.1(3) 55.9(3) ?
Ir2 In16 In8 . . 2_4555 136.1(5) 134.2(4) 138.1(5) ?
Ir2 In16 In9 . . . 53.9(4) 53.8(4) 54.0(4) ?
Ir2 In16 In10 . . 2_5555 55.4(3) 55.0(3) 55.8(4) ?
Ir2 In16 In11 . . 2_5555 110.4(5) 109.0(5) 111.7(5) ?
Ir2 In16 In20 . . 1_5565 143.7(4) 142.5(4) 144.8(4) ?
Ir2 In16 Se3 . . 1_4555 103.9(6) 96.0(6) 111.8(6) ?
Ir4 In16 In4 1_5565 . . 128.9(5) 126.5(5) 131.2(5) ?
Ir4 In16 In8 1_5565 . 2_4555 53.6(4) 53.3(4) 54.0(4) ?
Ir4 In16 In9 1_5565 . . 135.1(5) 132.9(5) 137.3(5) ?
Ir4 In16 In10 1_5565 . 2_5555 96.8(4) 96.3(4) 97.2(4) ?
Ir4 In16 In11 1_5565 . 2_5555 50.2(3) 50.0(3) 50.3(3) ?
Ir4 In16 In20 1_5565 . 1_5565 51.9(2) 50.7(2) 53.1(3) ?
Ir4 In16 Se3 1_5565 . 1_4555 105.5(6) 98.4(6) 112.6(6) ?
In4 In16 In8 . . 2_4555 158.4(4) 157.2(4) 159.6(4) ?
In4 In16 In9 . . . 96.0(4) 95.1(4) 96.8(4) ?
In4 In16 In10 . . 2_5555 69.0(3) 68.7(3) 69.4(3) ?
In4 In16 In11 . . 2_5555 83.3(4) 81.4(4) 85.3(4) ?
In4 In16 In20 . . 1_5565 88.7(3) 86.8(3) 90.5(3) ?
In4 In16 Se3 . . 1_4555 84.7(4) 81.1(4) 88.1(4) ?
In8 In16 In9 2_4555 . . 85.0(4) 83.4(4) 86.5(4) ?
In8 In16 In10 2_4555 . 2_5555 132.1(3) 130.8(3) 133.4(4) ?
In8 In16 In11 2_4555 . 2_5555 103.8(4) 103.3(4) 104.2(4) ?
In8 In16 In20 2_4555 . 1_5565 78.4(4) 76.4(4) 80.3(4) ?
In8 In16 Se3 2_4555 . 1_4555 74.8(5) 71.7(4) 78.1(5) ?
In9 In16 In10 . . 2_5555 100.4(4) 99.5(4) 101.2(4) ?
In9 In16 In11 . . 2_5555 157.8(4) 156.3(4) 159.2(4) ?
In9 In16 In20 . . 1_5565 143.7(5) 141.9(5) 145.5(5) ?
In9 In16 Se3 . . 1_4555 74.7(5) 70.4(5) 79.3(5) ?
In10 In16 In11 2_5555 . 2_5555 58.6(3) 58.0(3) 59.3(3) ?
In10 In16 In20 2_5555 . 1_5565 114.7(5) 114.2(5) 115.2(5) ?
In10 In16 Se3 2_5555 . 1_4555 152.5(5) 147.0(6) 157.5(5) ?
In11 In16 In20 2_5555 . 1_5565 58.4(4) 57.2(3) 59.5(4) ?
In11 In16 Se3 2_5555 . 1_4555 127.0(5) 121.1(5) 132.7(5) ?
In20 In16 Se3 1_5565 . 1_4555 70.1(5) 62.7(5) 77.5(5) ?
Ir1 In17 Ir1 . . 2_5655 176.7(7) 174.0(6) 179.6(7) ?
Ir1 In17 In8 . . . 52.2(3) 51.4(3) 53.1(3) ?
Ir1 In17 In8 . . 2_5655 126.5(5) 122.8(5) 130.0(5) ?
Ir1 In17 In10 . . . 57.9(3) 57.7(3) 58.2(3) ?
Ir1 In17 In10 . . 2_5655 122.3(5) 121.6(5) 123.1(5) ?
Ir1 In17 In13 . . . 51.0(3) 50.3(3) 51.6(3) ?
Ir1 In17 In13 . . 2_5655 129.5(5) 125.5(5) 133.4(5) ?
Ir1 In17 Se2 . . . 90.6(4) 88.3(4) 92.9(4) ?
Ir1 In17 Se4 . . . 89.3(4) 87.1(4) 91.5(4) ?
Ir1 In17 In8 2_5655 . . 126.5(5) 122.8(5) 130.0(5) ?
Ir1 In17 In8 2_5655 . 2_5655 52.2(3) 51.4(3) 53.1(3) ?
Ir1 In17 In10 2_5655 . . 122.3(5) 121.6(5) 123.1(5) ?
Ir1 In17 In10 2_5655 . 2_5655 57.9(3) 57.7(3) 58.2(3) ?
Ir1 In17 In13 2_5655 . . 129.5(5) 125.5(5) 133.4(5) ?
Ir1 In17 In13 2_5655 . 2_5655 51.0(3) 50.3(3) 51.6(3) ?
Ir1 In17 Se2 2_5655 . . 90.6(4) 88.3(4) 92.9(4) ?
Ir1 In17 Se4 2_5655 . . 89.3(4) 87.1(4) 91.5(4) ?
In8 In17 In8 . . 2_5655 74.3(4) 69.8(4) 78.7(4) ?
In8 In17 In10 . . . 100.1(3) 99.4(3) 100.9(3) ?
In8 In17 In10 . . 2_5655 145.2(5) 141.2(5) 149.0(5) ?
In8 In17 In13 . . . 61.9(3) 61.4(3) 62.4(3) ?
In8 In17 In13 . . 2_5655 107.0(5) 106.2(5) 107.8(5) ?
In8 In17 Se2 . . . 112.7(4) 110.0(4) 115.4(5) ?
In8 In17 Se4 . . . 50.2(4) 47.8(3) 52.5(4) ?
In8 In17 In10 2_5655 . . 145.2(5) 141.2(5) 149.0(5) ?
In8 In17 In10 2_5655 . 2_5655 100.1(3) 99.4(3) 100.9(3) ?
In8 In17 In13 2_5655 . . 107.0(5) 106.2(5) 107.8(5) ?
In8 In17 In13 2_5655 . 2_5655 61.9(3) 61.4(3) 62.4(3) ?
In8 In17 Se2 2_5655 . . 112.7(4) 110.0(4) 115.4(5) ?
In8 In17 Se4 2_5655 . . 50.2(4) 47.8(3) 52.5(4) ?
In10 In17 In10 . . 2_5655 64.4(3) 64.0(3) 64.9(4) ?
In10 In17 In13 . . . 99.6(3) 99.3(3) 99.9(3) ?
In10 In17 In13 . . 2_5655 147.3(6) 143.8(5) 150.7(5) ?
In10 In17 Se2 . . . 101.2(5) 98.3(5) 104.1(5) ?
In10 In17 Se4 . . . 99.6(5) 96.7(5) 102.5(5) ?
In10 In17 In13 2_5655 . . 147.3(6) 143.8(5) 150.7(5) ?
In10 In17 In13 2_5655 . 2_5655 99.6(3) 99.3(3) 99.9(3) ?
In10 In17 Se2 2_5655 . . 101.2(5) 98.3(5) 104.1(5) ?
In10 In17 Se4 2_5655 . . 99.6(5) 96.7(5) 102.5(5) ?
In13 In17 In13 . . 2_5655 78.6(4) 73.9(4) 83.2(4) ?
In13 In17 Se2 . . . 52.0(3) 49.6(3) 54.3(3) ?
In13 In17 Se4 . . . 111.4(5) 109.7(5) 113.2(5) ?
In13 In17 Se2 2_5655 . . 52.0(3) 49.6(3) 54.3(3) ?
In13 In17 Se4 2_5655 . . 111.4(5) 109.7(5) 113.2(5) ?
Se2 In17 Se4 . . . 155.4(7) 155.0(7) 155.9(7) ?
Ir2 In18 Ir2 . . 2_5455 175.7(7) 172.7(7) 178.3(7) ?
Ir2 In18 In9 . . . 51.7(3) 50.8(3) 52.6(3) ?
Ir2 In18 In9 . . 2_5455 131.1(6) 128.0(5) 134.2(6) ?
Ir2 In18 In10 . . 1_5455 120.6(5) 119.9(5) 121.5(5) ?
Ir2 In18 In10 . . 2_5555 57.6(3) 57.4(3) 57.8(3) ?
Ir2 In18 In14 . . . 52.5(3) 51.7(3) 53.3(3) ?
Ir2 In18 In14 . . 2_5455 127.0(5) 122.7(5) 131.2(5) ?
Ir2 In18 Se4 . . 1_4455 91.4(4) 89.3(4) 93.6(4) ?
Ir2 In18 In9 2_5455 . . 131.1(6) 128.0(5) 134.2(6) ?
Ir2 In18 In9 2_5455 . 2_5455 51.7(3) 50.8(3) 52.6(3) ?
Ir2 In18 In10 2_5455 . 1_5455 57.6(3) 57.4(3) 57.8(3) ?
Ir2 In18 In10 2_5455 . 2_5555 120.6(5) 119.9(5) 121.5(5) ?
Ir2 In18 In14 2_5455 . . 127.0(5) 122.7(5) 131.2(5) ?
Ir2 In18 In14 2_5455 . 2_5455 52.5(3) 51.7(3) 53.3(3) ?
Ir2 In18 Se4 2_5455 . 1_4455 91.4(4) 89.3(4) 93.6(4) ?
In9 In18 In9 . . 2_5455 79.4(4) 75.4(4) 83.4(4) ?
In9 In18 In10 . . 1_5455 147.6(5) 144.6(5) 150.6(5) ?
In9 In18 In10 . . 2_5555 100.1(3) 99.7(3) 100.5(3) ?
In9 In18 In14 . . . 62.3(3) 61.9(3) 62.6(3) ?
In9 In18 In14 . . 2_5455 107.9(5) 107.0(5) 108.8(5) ?
In9 In18 Se4 . . 1_4455 50.2(3) 48.1(3) 52.2(3) ?
In9 In18 In10 2_5455 . 1_5455 100.1(3) 99.7(3) 100.5(3) ?
In9 In18 In10 2_5455 . 2_5555 147.6(5) 144.6(5) 150.6(5) ?
In9 In18 In14 2_5455 . . 107.9(5) 107.0(5) 108.8(5) ?
In9 In18 In14 2_5455 . 2_5455 62.3(3) 61.9(3) 62.6(3) ?
In9 In18 Se4 2_5455 . 1_4455 50.2(3) 48.1(3) 52.2(3) ?
In10 In18 In10 1_5455 . 2_5555 63.1(3) 62.5(3) 63.7(4) ?
In10 In18 In14 1_5455 . . 143.7(6) 141.1(6) 146.2(6) ?
In10 In18 In14 1_5455 . 2_5455 99.9(3) 99.8(3) 100.0(3) ?
In10 In18 Se4 1_5455 . 1_4455 104.9(5) 102.8(5) 106.9(5) ?
In10 In18 In14 2_5555 . . 99.9(3) 99.8(3) 100.0(3) ?
In10 In18 In14 2_5555 . 2_5455 143.7(6) 141.1(6) 146.2(6) ?
In10 In18 Se4 2_5555 . 1_4455 104.9(5) 102.8(5) 106.9(5) ?
In14 In18 In14 . . 2_5455 74.5(4) 70.2(4) 79.0(4) ?
In14 In18 Se4 . . 1_4455 110.6(5) 109.5(5) 111.8(5) ?
In14 In18 Se4 2_5455 . 1_4455 110.6(5) 109.5(5) 111.8(5) ?
Ir3 In19 Ir3 . . 2_5555 177.5(7) 176.0(7) 178.8(6) ?
Ir3 In19 In5 . . . 58.7(3) 58.3(3) 59.2(3) ?
Ir3 In19 In5 . . 2_5555 122.8(5) 122.6(5) 123.0(5) ?
Ir3 In19 In12 . . 1_5565 126.9(6) 125.4(5) 128.4(6) ?
Ir3 In19 In12 . . 2_5565 51.2(3) 50.9(3) 51.5(3) ?
Ir3 In19 In15 . . 1_5565 51.8(3) 51.8(3) 51.9(3) ?
Ir3 In19 In15 . . 2_5565 127.6(5) 126.2(5) 129.0(5) ?
Ir3 In19 Se1 . . . 89.3(4) 88.0(4) 90.6(4) ?
Ir3 In19 Se3 . . 1_5565 90.3(4) 89.1(4) 91.5(4) ?
Ir3 In19 In5 2_5555 . . 122.8(5) 122.6(5) 123.0(5) ?
Ir3 In19 In5 2_5555 . 2_5555 58.7(3) 58.3(3) 59.2(3) ?
Ir3 In19 In12 2_5555 . 1_5565 51.2(3) 50.9(3) 51.5(3) ?
Ir3 In19 In12 2_5555 . 2_5565 126.9(6) 125.4(5) 128.4(6) ?
Ir3 In19 In15 2_5555 . 1_5565 127.6(5) 126.2(5) 129.0(5) ?
Ir3 In19 In15 2_5555 . 2_5565 51.8(3) 51.8(3) 51.9(3) ?
Ir3 In19 Se1 2_5555 . . 89.3(4) 88.0(4) 90.6(4) ?
Ir3 In19 Se3 2_5555 . 1_5565 90.3(4) 89.1(4) 91.5(4) ?
In5 In19 In5 . . 2_5555 64.1(3) 63.4(3) 64.8(4) ?
In5 In19 In12 . . 1_5565 145.8(5) 144.6(5) 147.0(5) ?
In5 In19 In12 . . 2_5565 100.1(3) 99.4(3) 100.9(3) ?
In5 In19 In15 . . 1_5565 101.2(3) 100.3(3) 102.0(3) ?
In5 In19 In15 . . 2_5565 147.7(6) 146.4(6) 149.0(6) ?
In5 In19 Se1 . . . 102.2(4) 99.4(5) 104.9(4) ?
In5 In19 Se3 . . 1_5565 103.5(5) 100.0(5) 106.7(5) ?
In5 In19 In12 2_5555 . 1_5565 100.1(3) 99.4(3) 100.9(3) ?
In5 In19 In12 2_5555 . 2_5565 145.8(5) 144.6(5) 147.0(5) ?
In5 In19 In15 2_5555 . 1_5565 147.7(6) 146.4(6) 149.0(6) ?
In5 In19 In15 2_5555 . 2_5565 101.2(3) 100.3(3) 102.0(3) ?
In5 In19 Se1 2_5555 . . 102.2(4) 99.4(5) 104.9(4) ?
In5 In19 Se3 2_5555 . 1_5565 103.5(5) 100.0(5) 106.7(5) ?
In12 In19 In12 1_5565 . 2_5565 75.7(4) 74.4(4) 77.0(4) ?
In12 In19 In15 1_5565 . 1_5565 105.9(5) 104.8(5) 107.1(5) ?
In12 In19 In15 1_5565 . 2_5565 61.3(3) 60.6(3) 62.0(3) ?
In12 In19 Se1 1_5565 . . 49.2(3) 46.7(3) 51.9(3) ?
In12 In19 Se3 1_5565 . 1_5565 109.8(4) 106.3(4) 113.7(4) ?
In12 In19 In15 2_5565 . 1_5565 61.3(3) 60.6(3) 62.0(3) ?
In12 In19 In15 2_5565 . 2_5565 105.9(5) 104.8(5) 107.1(5) ?
In12 In19 Se1 2_5565 . . 49.2(3) 46.7(3) 51.9(3) ?
In12 In19 Se3 2_5565 . 1_5565 109.8(4) 106.3(4) 113.7(4) ?
In15 In19 In15 1_5565 . 2_5565 75.8(3) 74.4(3) 77.2(3) ?
In15 In19 Se1 1_5565 . . 109.2(4) 105.5(4) 113.1(5) ?
In15 In19 Se3 1_5565 . 1_5565 49.7(3) 47.4(3) 52.3(3) ?
In15 In19 Se1 2_5565 . . 109.2(4) 105.5(4) 113.1(5) ?
In15 In19 Se3 2_5565 . 1_5565 49.7(3) 47.4(3) 52.3(3) ?
Se1 In19 Se3 . . 1_5565 149.6(6) 142.7(5) 156.8(6) ?
Ir4 In20 Ir4 . . 2_5555 175.2(7) 173.5(7) 176.9(8) ?
Ir4 In20 In5 . . 1_4545 119.8(5) 119.4(5) 120.2(5) ?
Ir4 In20 In5 . . 2_4545 56.9(3) 56.2(3) 57.6(3) ?
Ir4 In20 In11 . . 1_5545 129.5(6) 126.5(6) 132.4(6) ?
Ir4 In20 In11 . . 2_5545 52.4(3) 51.9(3) 52.9(3) ?
Ir4 In20 In16 . . 1_5545 52.4(3) 51.9(3) 52.9(3) ?
Ir4 In20 In16 . . 2_5545 130.5(5) 127.7(5) 133.2(5) ?
Ir4 In20 In21 . . 1_4545 89.2(4) 87.3(4) 91.0(4) ?
Ir4 In20 Se1 . . 1_5545 90.0(4) 87.6(4) 92.4(4) ?
Ir4 In20 Se3 . . 1_4545 90.7(4) 88.4(4) 93.1(4) ?
Ir4 In20 In5 2_5555 . 1_4545 56.9(3) 56.2(3) 57.6(3) ?
Ir4 In20 In5 2_5555 . 2_4545 119.8(5) 119.4(5) 120.2(5) ?
Ir4 In20 In11 2_5555 . 1_5545 52.4(3) 51.9(3) 52.9(3) ?
Ir4 In20 In11 2_5555 . 2_5545 129.5(6) 126.5(6) 132.4(6) ?
Ir4 In20 In16 2_5555 . 1_5545 130.5(5) 127.7(5) 133.2(5) ?
Ir4 In20 In16 2_5555 . 2_5545 52.4(3) 51.9(3) 52.9(3) ?
Ir4 In20 In21 2_5555 . 1_4545 89.2(4) 87.3(4) 91.0(4) ?
Ir4 In20 Se1 2_5555 . 1_5545 90.0(4) 87.6(4) 92.4(4) ?
Ir4 In20 Se3 2_5555 . 1_4545 90.7(4) 88.4(4) 93.1(4) ?
In5 In20 In5 1_4545 . 2_4545 62.9(4) 62.7(4) 63.2(4) ?
In5 In20 In11 1_4545 . 1_5545 99.4(3) 98.6(3) 100.2(3) ?
In5 In20 In11 1_4545 . 2_5545 144.6(5) 142.0(5) 147.0(5) ?
In5 In20 In16 1_4545 . 1_5545 145.5(6) 142.9(6) 148.0(6) ?
In5 In20 In16 1_4545 . 2_5545 99.5(3) 98.9(3) 100.2(3) ?
In5 In20 In21 1_4545 . 1_4545 54.6(4) 50.9(4) 58.6(4) ?
In5 In20 Se1 1_4545 . 1_5545 100.0(5) 96.7(5) 103.2(5) ?
In5 In20 Se3 1_4545 . 1_4545 100.8(5) 97.3(5) 104.3(5) ?
In5 In20 In11 2_4545 . 1_5545 144.6(5) 142.0(5) 147.0(5) ?
In5 In20 In11 2_4545 . 2_5545 99.4(3) 98.6(3) 100.2(3) ?
In5 In20 In16 2_4545 . 1_5545 99.5(3) 98.9(3) 100.2(3) ?
In5 In20 In16 2_4545 . 2_5545 145.5(6) 142.9(6) 148.0(6) ?
In5 In20 In21 2_4545 . 1_4545 54.6(4) 50.9(4) 58.6(4) ?
In5 In20 Se1 2_4545 . 1_5545 100.0(5) 96.7(5) 103.2(5) ?
In5 In20 Se3 2_4545 . 1_4545 100.8(5) 97.3(5) 104.3(5) ?
In11 In20 In11 1_5545 . 2_5545 77.1(4) 74.8(4) 79.4(4) ?
In11 In20 In16 1_5545 . 1_5545 109.5(5) 108.5(5) 110.4(5) ?
In11 In20 In16 1_5545 . 2_5545 63.1(3) 62.6(3) 63.7(3) ?
In11 In20 In21 1_5545 . 1_4545 141.2(3) 140.0(3) 142.5(2) ?
In11 In20 Se1 1_5545 . 1_5545 50.4(3) 47.6(3) 53.5(4) ?
In11 In20 Se3 1_5545 . 1_4545 113.1(4) 108.8(4) 117.8(5) ?
In11 In20 In16 2_5545 . 1_5545 63.1(3) 62.6(3) 63.7(3) ?
In11 In20 In16 2_5545 . 2_5545 109.5(5) 108.5(5) 110.4(5) ?
In11 In20 In21 2_5545 . 1_4545 141.2(3) 140.0(3) 142.5(2) ?
In11 In20 Se1 2_5545 . 1_5545 50.4(3) 47.6(3) 53.5(4) ?
In11 In20 Se3 2_5545 . 1_4545 113.1(4) 108.8(4) 117.8(5) ?
In16 In20 In16 1_5545 . 2_5545 78.2(4) 76.0(4) 80.3(4) ?
In16 In20 In21 1_5545 . 1_4545 90.9(4) 87.6(4) 94.2(4) ?
In16 In20 Se1 1_5545 . 1_5545 112.7(5) 108.8(5) 116.8(5) ?
In16 In20 Se3 1_5545 . 1_4545 51.0(3) 47.7(3) 54.6(4) ?
In16 In20 In21 2_5545 . 1_4545 90.9(4) 87.6(4) 94.2(4) ?
In16 In20 Se1 2_5545 . 1_5545 112.7(5) 108.8(5) 116.8(5) ?
In16 In20 Se3 2_5545 . 1_4545 51.0(3) 47.7(3) 54.6(4) ?
In21 In20 Se1 1_4545 . 1_5545 149.0(6) 146.2(6) 151.5(6) ?
In21 In20 Se3 1_4545 . 1_4545 55.4(5) 46.7(5) 63.4(4) ?
Se1 In20 Se3 1_5545 . 1_4545 155.6(6) 147.8(6) 163.5(7) ?
Ir1 In21 Ir1 . . 2_5555 111.8(7) 110.0(7) 113.3(7) ?
Ir1 In21 In3 . . . 56.0(4) 55.3(4) 56.7(4) ?
Ir1 In21 In5 . . . 92.6(3) 91.8(3) 93.1(3) ?
Ir1 In21 In5 . . 2_5555 151.6(6) 148.4(6) 153.5(5) ?
Ir1 In21 In8 . . . 48.1(3) 46.0(3) 49.7(3) ?
Ir1 In21 In8 . . 2_5555 142.4(7) 131.7(7) 151.4(7) ?
Ir1 In21 In13 . . . 47.5(3) 45.3(3) 49.3(3) ?
Ir1 In21 In13 . . 2_5555 138.1(7) 126.2(7) 149.1(8) ?
Ir1 In21 In20 . . 1_6565 114.7(4) 106.7(5) 122.3(4) ?
Ir1 In21 Se1 . . . 81.7(5) 73.1(4) 90.4(5) ?
Ir1 In21 Se3 . . . 85.3(5) 76.2(4) 94.4(5) ?
Ir1 In21 In3 2_5555 . . 56.0(4) 55.3(4) 56.7(4) ?
Ir1 In21 In5 2_5555 . . 151.6(6) 148.4(6) 153.5(5) ?
Ir1 In21 In5 2_5555 . 2_5555 92.6(3) 91.8(3) 93.1(3) ?
Ir1 In21 In8 2_5555 . . 142.4(7) 131.7(7) 151.4(7) ?
Ir1 In21 In8 2_5555 . 2_5555 48.1(3) 46.0(3) 49.7(3) ?
Ir1 In21 In13 2_5555 . . 138.1(7) 126.2(7) 149.1(8) ?
Ir1 In21 In13 2_5555 . 2_5555 47.5(3) 45.3(3) 49.3(3) ?
Ir1 In21 In20 2_5555 . 1_6565 114.7(4) 106.7(5) 122.3(4) ?
Ir1 In21 Se1 2_5555 . . 81.7(5) 73.1(4) 90.4(5) ?
Ir1 In21 Se3 2_5555 . . 85.3(5) 76.2(4) 94.4(5) ?
In3 In21 In5 . . . 147.3(3) 144.1(5) 149.7(2) ?
In3 In21 In5 . . 2_5555 147.3(3) 144.1(5) 149.7(2) ?
In3 In21 In8 . . . 95.8(4) 91.0(4) 99.5(4) ?
In3 In21 In8 . . 2_5555 95.8(4) 91.0(4) 99.5(4) ?
In3 In21 In13 . . . 94.2(5) 88.4(5) 99.0(4) ?
In3 In21 In13 . . 2_5555 94.2(5) 88.4(5) 99.0(4) ?
In3 In21 In20 . . 1_6565 138.6(7) 125.2(6) 152.2(7) ?
In3 In21 Se1 . . . 76.1(6) 66.1(5) 86.4(7) ?
In3 In21 Se3 . . . 80.1(6) 69.2(5) 91.2(7) ?
In5 In21 In5 . . 2_5555 60.4(4) 60.1(4) 60.8(4) ?
In5 In21 In8 . . . 58.4(3) 56.4(3) 60.0(3) ?
In5 In21 In8 . . 2_5555 111.1(6) 105.7(6) 115.6(6) ?
In5 In21 In13 . . . 58.1(3) 56.0(3) 59.8(3) ?
In5 In21 In13 . . 2_5555 109.3(5) 103.4(5) 114.3(6) ?
In5 In21 In20 . . 1_6565 51.8(4) 48.4(4) 54.9(4) ?
In5 In21 Se1 . . . 99.5(5) 92.9(5) 106.0(6) ?
In5 In21 Se3 . . . 101.0(6) 95.1(5) 106.7(7) ?
In5 In21 In8 2_5555 . . 111.1(6) 105.7(6) 115.6(6) ?
In5 In21 In8 2_5555 . 2_5555 58.4(3) 56.4(3) 60.0(3) ?
In5 In21 In13 2_5555 . . 109.3(5) 103.4(5) 114.3(6) ?
In5 In21 In13 2_5555 . 2_5555 58.1(3) 56.0(3) 59.8(3) ?
In5 In21 In20 2_5555 . 1_6565 51.8(4) 48.4(4) 54.9(4) ?
In5 In21 Se1 2_5555 . . 99.5(5) 92.9(5) 106.0(6) ?
In5 In21 Se3 2_5555 . . 101.0(6) 95.1(5) 106.7(7) ?
In8 In21 In8 . . 2_5555 123.5(6) 110.2(6) 137.0(7) ?
In8 In21 In13 . . . 58.1(3) 57.8(3) 58.4(3) ?
In8 In21 In13 . . 2_5555 165.0(7) 160.0(6) 168.6(7) ?
In8 In21 In20 . . 1_6565 67.1(4) 61.5(3) 72.6(4) ?
In8 In21 Se1 . . . 118.3(3) 111.5(4) 124.9(3) ?
In8 In21 Se3 . . . 64.3(3) 58.1(3) 70.7(4) ?
In8 In21 In13 2_5555 . . 165.0(7) 160.0(6) 168.6(7) ?
In8 In21 In13 2_5555 . 2_5555 58.1(3) 57.8(3) 58.4(3) ?
In8 In21 In20 2_5555 . 1_6565 67.1(4) 61.5(3) 72.6(4) ?
In8 In21 Se1 2_5555 . . 118.3(3) 111.5(4) 124.9(3) ?
In8 In21 Se3 2_5555 . . 64.3(3) 58.1(3) 70.7(4) ?
In13 In21 In13 . . 2_5555 117.6(6) 104.3(5) 131.4(6) ?
In13 In21 In20 . . 1_6565 105.8(4) 102.8(4) 108.1(4) ?
In13 In21 Se1 . . . 61.6(3) 55.1(3) 68.3(4) ?
In13 In21 Se3 . . . 121.2(3) 114.3(3) 127.8(3) ?
In13 In21 In20 2_5555 . 1_6565 105.8(4) 102.8(4) 108.1(4) ?
In13 In21 Se1 2_5555 . . 61.6(3) 55.1(3) 68.3(4) ?
In13 In21 Se3 2_5555 . . 121.2(3) 114.3(3) 127.8(3) ?
In20 In21 Se1 1_6565 . . 145.3(7) 141.7(6) 148.4(7) ?
In20 In21 Se3 1_6565 . . 58.5(5) 55.9(4) 61.1(6) ?
Se1 In21 Se3 . . . 156.2(8) 155.5(8) 157.3(8) ?
Ir2 In22 Ir2 . . 2_5555 113.9(7) 112.4(6) 115.0(7) ?
Ir2 In22 In4 . . . 57.0(4) 56.4(3) 57.5(4) ?
Ir2 In22 In5 . . 1_4545 150.3(6) 147.0(6) 152.6(5) ?
Ir2 In22 In5 . . 2_4545 92.3(3) 91.4(3) 92.8(3) ?
Ir2 In22 In9 . . . 47.6(3) 45.6(3) 49.2(3) ?
Ir2 In22 In9 . . 2_5555 139.5(7) 127.6(6) 150.4(7) ?
Ir2 In22 In14 . . . 48.3(3) 46.5(3) 49.6(2) ?
Ir2 In22 In14 . . 2_5555 144.1(7) 133.1(7) 153.6(7) ?
Ir2 In22 Se1 . . 1_5545 86.6(5) 77.9(5) 95.4(5) ?
Ir2 In22 Se3 . . 1_4555 82.7(5) 73.9(4) 91.7(5) ?
Ir2 In22 In4 2_5555 . . 57.0(4) 56.4(3) 57.5(4) ?
Ir2 In22 In5 2_5555 . 1_4545 92.3(3) 91.4(3) 92.8(3) ?
Ir2 In22 In5 2_5555 . 2_4545 150.3(6) 147.0(6) 152.6(5) ?
Ir2 In22 In9 2_5555 . . 139.5(7) 127.6(6) 150.4(7) ?
Ir2 In22 In9 2_5555 . 2_5555 47.6(3) 45.6(3) 49.2(3) ?
Ir2 In22 In14 2_5555 . . 144.1(7) 133.1(7) 153.6(7) ?
Ir2 In22 In14 2_5555 . 2_5555 48.3(3) 46.5(3) 49.6(2) ?
Ir2 In22 Se1 2_5555 . 1_5545 86.6(5) 77.9(5) 95.4(5) ?
Ir2 In22 Se3 2_5555 . 1_4555 82.7(5) 73.9(4) 91.7(5) ?
In4 In22 In5 . . 1_4545 147.8(3) 144.4(4) 149.7(3) ?
In4 In22 In5 . . 2_4545 147.8(3) 144.4(4) 149.7(3) ?
In4 In22 In9 . . . 95.2(4) 89.0(4) 100.2(4) ?
In4 In22 In9 . . 2_5555 95.2(4) 89.0(4) 100.2(4) ?
In4 In22 In14 . . . 96.9(4) 91.5(5) 101.0(4) ?
In4 In22 In14 . . 2_5555 96.9(4) 91.5(5) 101.0(4) ?
In4 In22 Se1 . . 1_5545 82.1(6) 70.6(5) 93.7(8) ?
In4 In22 Se3 . . 1_4555 77.9(6) 66.0(5) 90.1(7) ?
In5 In22 In5 1_4545 . 2_4545 59.3(4) 58.7(4) 59.9(4) ?
In5 In22 In9 1_4545 . . 107.7(6) 101.9(5) 112.8(6) ?
In5 In22 In9 1_4545 . 2_5555 57.5(3) 55.5(3) 59.0(3) ?
In5 In22 In14 1_4545 . . 109.6(5) 104.8(5) 113.6(5) ?
In5 In22 In14 1_4545 . 2_5555 57.9(3) 56.1(3) 59.3(3) ?
In5 In22 Se1 1_4545 . 1_5545 99.5(6) 93.7(5) 105.1(6) ?
In5 In22 Se3 1_4545 . 1_4555 97.8(6) 92.4(5) 103.0(7) ?
In5 In22 In9 2_4545 . . 57.5(3) 55.5(3) 59.0(3) ?
In5 In22 In9 2_4545 . 2_5555 107.7(6) 101.9(5) 112.8(6) ?
In5 In22 In14 2_4545 . . 57.9(3) 56.1(3) 59.3(3) ?
In5 In22 In14 2_4545 . 2_5555 109.6(5) 104.8(5) 113.6(5) ?
In5 In22 Se1 2_4545 . 1_5545 99.5(6) 93.7(5) 105.1(6) ?
In5 In22 Se3 2_4545 . 1_4555 97.8(6) 92.4(5) 103.0(7) ?
In9 In22 In9 . . 2_5555 117.3(6) 104.0(5) 131.1(6) ?
In9 In22 In14 . . . 57.9(3) 57.6(3) 58.1(3) ?
In9 In22 In14 . . 2_5555 163.3(6) 158.5(6) 166.8(7) ?
In9 In22 Se1 . . 1_5545 121.3(3) 114.3(3) 128.0(3) ?
In9 In22 Se3 . . 1_4555 61.5(3) 55.3(3) 68.0(4) ?
In9 In22 In14 2_5555 . . 163.3(6) 158.5(6) 166.8(7) ?
In9 In22 In14 2_5555 . 2_5555 57.9(3) 57.6(3) 58.1(3) ?
In9 In22 Se1 2_5555 . 1_5545 121.3(3) 114.3(3) 128.0(3) ?
In9 In22 Se3 2_5555 . 1_4555 61.5(3) 55.3(3) 68.0(4) ?
In14 In22 In14 . . 2_5555 123.2(6) 110.1(5) 136.5(6) ?
In14 In22 Se1 . . 1_5545 64.3(3) 57.9(3) 70.8(4) ?
In14 In22 Se3 . . 1_4555 118.3(3) 111.6(3) 124.9(3) ?
In14 In22 Se1 2_5555 . 1_5545 64.3(3) 57.9(3) 70.8(4) ?
In14 In22 Se3 2_5555 . 1_4555 118.3(3) 111.6(3) 124.9(3) ?
Se1 In22 Se3 1_5545 . 1_4555 160.0(8) 159.5(8) 160.7(8) ?
In11 Se1 In11 . . 2_5555 88.3(5) 86.9(5) 90.0(5) ?
In11 Se1 In12 . . 1_5565 171.0(9) 163.2(9) 178.3(9) ?
In11 Se1 In12 . . 2_5565 91.4(3) 90.3(3) 92.7(3) ?
In11 Se1 In19 . . . 118.5(6) 110.3(6) 126.5(5) ?
In11 Se1 In20 . . 1_5565 59.5(4) 56.5(4) 62.2(4) ?
In11 Se1 In21 . . . 75.4(5) 69.1(5) 81.6(5) ?
In11 Se1 In22 . . 1_5565 106.2(6) 99.2(6) 113.3(7) ?
In11 Se1 In12 2_5555 . 1_5565 91.4(3) 90.3(3) 92.7(3) ?
In11 Se1 In12 2_5555 . 2_5565 171.0(9) 163.2(9) 178.3(9) ?
In11 Se1 In19 2_5555 . . 118.5(6) 110.3(6) 126.5(5) ?
In11 Se1 In20 2_5555 . 1_5565 59.5(4) 56.5(4) 62.2(4) ?
In11 Se1 In21 2_5555 . . 75.4(5) 69.1(5) 81.6(5) ?
In11 Se1 In22 2_5555 . 1_5565 106.2(6) 99.2(6) 113.3(7) ?
In12 Se1 In12 1_5565 . 2_5565 87.1(5) 85.3(5) 88.5(5) ?
In12 Se1 In19 1_5565 . . 58.2(4) 54.6(4) 61.5(4) ?
In12 Se1 In20 1_5565 . 1_5565 123.3(6) 115.0(6) 131.2(5) ?
In12 Se1 In21 1_5565 . . 101.5(6) 94.8(6) 108.1(7) ?
In12 Se1 In22 1_5565 . 1_5565 76.9(5) 71.1(5) 82.5(5) ?
In12 Se1 In19 2_5565 . . 58.2(4) 54.6(4) 61.5(4) ?
In12 Se1 In20 2_5565 . 1_5565 123.3(6) 115.0(6) 131.2(5) ?
In12 Se1 In21 2_5565 . . 101.5(6) 94.8(6) 108.1(7) ?
In12 Se1 In22 2_5565 . 1_5565 76.9(5) 71.1(5) 82.5(5) ?
In19 Se1 In20 . . 1_5565 174.2(6) 168.3(6) 179.4(7) ?
In19 Se1 In21 . . . 62.7(5) 58.5(4) 67.3(6) ?
In19 Se1 In22 . . 1_5565 114.9(6) 111.6(5) 117.8(7) ?
In20 Se1 In21 1_5565 . . 114.3(6) 109.8(5) 118.3(6) ?
In20 Se1 In22 1_5565 . 1_5565 68.1(6) 62.9(5) 73.9(7) ?
In21 Se1 In22 . . 1_5565 177.6(8) 176.3(8) 178.8(7) ?
In7 Se2 In13 1_5665 . . 108.4(5) 106.6(5) 110.4(5) ?
In7 Se2 In13 1_5665 . 2_5655 108.4(5) 106.6(5) 110.4(5) ?
In7 Se2 In14 1_5665 . 1_5665 77.9(5) 76.3(5) 79.4(5) ?
In7 Se2 In14 1_5665 . 2_5565 77.9(5) 76.3(5) 79.4(5) ?
In7 Se2 In17 1_5665 . . 68.7(5) 67.1(5) 70.3(5) ?
In13 Se2 In13 . . 2_5655 90.3(6) 86.5(6) 94.1(6) ?
In13 Se2 In14 . . 1_5665 171.9(7) 168.8(7) 175.3(8) ?
In13 Se2 In14 . . 2_5565 91.6(3) 90.6(3) 92.4(3) ?
In13 Se2 In17 . . . 61.9(4) 60.6(4) 63.2(4) ?
In13 Se2 In14 2_5655 . 1_5665 91.6(3) 90.6(3) 92.4(3) ?
In13 Se2 In14 2_5655 . 2_5565 171.9(7) 168.8(7) 175.3(8) ?
In13 Se2 In17 2_5655 . . 61.9(4) 60.6(4) 63.2(4) ?
In14 Se2 In14 1_5665 . 2_5565 85.5(6) 81.3(6) 89.6(6) ?
In14 Se2 In17 1_5665 . . 125.4(5) 122.9(5) 128.0(5) ?
In14 Se2 In17 2_5565 . . 125.4(5) 122.9(5) 128.0(5) ?
In15 Se3 In15 . . 2_5555 87.5(6) 84.8(6) 90.3(6) ?
In15 Se3 In16 . . 1_6555 169.6(10) 163.0(10) 175.7(10) ?
In15 Se3 In16 . . 2_6555 91.1(3) 90.0(3) 92.7(3) ?
In15 Se3 In19 . . 1_5545 59.3(4) 54.8(4) 63.6(5) ?
In15 Se3 In20 . . 1_6565 122.1(6) 112.6(6) 131.3(5) ?
In15 Se3 In21 . . . 77.2(5) 70.6(5) 83.4(6) ?
In15 Se3 In22 . . 1_6555 103.8(7) 95.7(6) 112.1(7) ?
In15 Se3 In16 2_5555 . 1_6555 91.1(3) 90.0(3) 92.7(3) ?
In15 Se3 In16 2_5555 . 2_6555 169.6(10) 163.0(10) 175.7(10) ?
In15 Se3 In19 2_5555 . 1_5545 59.3(4) 54.8(4) 63.6(5) ?
In15 Se3 In20 2_5555 . 1_6565 122.1(6) 112.6(6) 131.3(5) ?
In15 Se3 In21 2_5555 . . 77.2(5) 70.6(5) 83.4(6) ?
In15 Se3 In22 2_5555 . 1_6555 103.8(7) 95.7(6) 112.1(7) ?
In16 Se3 In16 1_6555 . 2_6555 88.0(5) 86.3(6) 90.1(5) ?
In16 Se3 In19 1_6555 . 1_5545 119.0(6) 109.6(6) 128.3(6) ?
In16 Se3 In20 1_6555 . 1_6565 59.0(4) 54.8(4) 62.7(4) ?
In16 Se3 In21 1_6555 . . 104.2(7) 96.2(6) 112.4(7) ?
In16 Se3 In22 1_6555 . 1_6555 74.8(5) 68.4(5) 80.9(5) ?
In16 Se3 In19 2_6555 . 1_5545 119.0(6) 109.6(6) 128.3(6) ?
In16 Se3 In20 2_6555 . 1_6565 59.0(4) 54.8(4) 62.7(4) ?
In16 Se3 In21 2_6555 . . 104.2(7) 96.2(6) 112.4(7) ?
In16 Se3 In22 2_6555 . 1_6555 74.8(5) 68.4(5) 80.9(5) ?
In19 Se3 In20 1_5545 . 1_6565 174.0(7) 168.0(7) 179.4(7) ?
In19 Se3 In21 1_5545 . . 116.9(6) 113.4(6) 119.8(7) ?
In19 Se3 In22 1_5545 . 1_6555 64.5(6) 59.0(5) 70.6(7) ?
In20 Se3 In21 1_6565 . . 66.0(6) 60.6(5) 72.3(8) ?
In20 Se3 In22 1_6565 . 1_6555 112.6(6) 108.9(6) 115.4(7) ?
In21 Se3 In22 . . 1_6555 178.0(8) 176.0(8) 179.4(8) ?
In6 Se4 In8 1_5545 . . 105.0(9) 101.9(9) 108.1(9) ?
In6 Se4 In8 1_5545 . 2_5655 105.0(9) 101.9(9) 108.1(9) ?
In6 Se4 In9 1_5545 . 1_6655 80.8(6) 79.1(6) 82.5(6) ?
In6 Se4 In9 1_5545 . 2_6555 80.8(6) 79.1(6) 82.5(6) ?
In6 Se4 In17 1_5545 . . 64.7(7) 62.9(7) 66.6(7) ?
In6 Se4 In18 1_5545 . 1_6655 119.7(6) 118.0(6) 121.4(6) ?
In8 Se4 In8 . . 2_5655 84.8(5) 81.4(5) 88.2(5) ?
In8 Se4 In9 . . 1_6655 172.8(10) 169.3(13) 177.2(6) ?
In8 Se4 In9 . . 2_6555 91.8(3) 90.6(3) 93.0(3) ?
In8 Se4 In17 . . . 59.0(5) 56.9(5) 61.1(5) ?
In8 Se4 In18 . . 1_6655 118.2(9) 116.1(9) 120.2(8) ?
In8 Se4 In9 2_5655 . 1_6655 91.8(3) 90.6(3) 93.0(3) ?
In8 Se4 In9 2_5655 . 2_6555 172.8(10) 169.3(13) 177.2(6) ?
In8 Se4 In17 2_5655 . . 59.0(5) 56.9(5) 61.1(5) ?
In8 Se4 In18 2_5655 . 1_6655 118.2(9) 116.1(9) 120.2(8) ?
In9 Se4 In9 1_6655 . 2_6555 90.9(6) 86.1(6) 95.7(6) ?
In9 Se4 In17 1_6655 . . 123.3(8) 120.3(8) 126.4(8) ?
In9 Se4 In18 1_6655 . 1_6655 59.0(6) 55.8(6) 62.2(6) ?
In9 Se4 In17 2_6555 . . 123.3(8) 120.3(8) 126.4(8) ?
In9 Se4 In18 2_6555 . 1_6655 59.0(6) 55.8(6) 62.2(6) ?
In17 Se4 In18 . . 1_6655 175.6(8) 173.7(8) 177.6(8) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_ssg_symmetry_1
_geom_bond_site_ssg_symmetry_2
_geom_bond_distance_av
_geom_bond_distance_min
_geom_bond_distance_max
_geom_bond_publ_flag
Ir1 In3 . . 2.768(9) 2.759(9) 2.777(9) ?
Ir1 In8 . . 2.671(16) 2.635(16) 2.708(16) ?
Ir1 In10 . . 2.790(14) 2.781(14) 2.800(14) ?
Ir1 In11 . . 2.646(15) 2.635(16) 2.656(16) ?
Ir1 In13 . . 2.627(14) 2.603(14) 2.653(14) ?
Ir1 In15 . . 2.641(14) 2.634(14) 2.648(14) ?
Ir1 In17 . . 2.631(4) 2.627(4) 2.636(4) ?
Ir1 In21 . . 2.925(13) 2.903(13) 2.962(13) ?
Ir2 In4 . . 2.744(8) 2.733(9) 2.755(9) ?
Ir2 In9 . . 2.633(16) 2.617(16) 2.651(16) ?
Ir2 In10 . 2_5555 2.808(14) 2.806(14) 2.809(14) ?
Ir2 In12 . . 2.646(16) 2.630(16) 2.661(16) ?
Ir2 In14 . . 2.676(14) 2.658(14) 2.696(14) ?
Ir2 In16 . . 2.629(14) 2.613(14) 2.645(14) ?
Ir2 In18 . . 2.623(4) 2.615(4) 2.629(4) ?
Ir2 In22 . . 2.902(12) 2.887(12) 2.933(12) ?
Ir3 In1 . . 2.755(8) 2.754(9) 2.757(9) ?
Ir3 In5 . . 2.818(15) 2.794(15) 2.842(15) ?
Ir3 In6 . . 2.962(10) 2.925(10) 2.998(10) ?
Ir3 In9 . 2_6565 2.641(16) 2.616(16) 2.667(16) ?
Ir3 In12 . 2_5565 2.653(16) 2.636(16) 2.669(16) ?
Ir3 In13 . . 2.657(14) 2.638(14) 2.678(14) ?
Ir3 In15 . 1_5565 2.656(14) 2.650(14) 2.663(14) ?
Ir3 In19 . . 2.603(4) 2.573(4) 2.633(4) ?
Ir4 In2 . . 2.721(8) 2.714(9) 2.728(9) ?
Ir4 In5 . 2_4545 2.783(15) 2.752(15) 2.815(15) ?
Ir4 In7 . . 2.850(10) 2.808(10) 2.893(10) ?
Ir4 In8 . 2_4545 2.652(16) 2.638(16) 2.667(16) ?
Ir4 In11 . 2_5545 2.660(16) 2.655(16) 2.666(16) ?
Ir4 In14 . . 2.653(14) 2.627(14) 2.680(14) ?
Ir4 In16 . 1_5545 2.662(14) 2.652(14) 2.673(14) ?
Ir4 In20 . . 2.644(4) 2.617(4) 2.669(4) ?
In1 In2 . 1_6665 2.725(19) 2.714(19) 2.735(19) ?
In1 In6 . . 2.921(19) 2.884(19) 2.959(19) ?
In1 In9 . 1_6665 3.264(14) 3.224(15) 3.306(15) ?
In1 In9 . 2_6565 3.264(14) 3.224(15) 3.306(15) ?
In1 In13 . . 3.212(15) 3.165(15) 3.259(15) ?
In1 In13 . 2_5655 3.212(15) 3.165(15) 3.259(15) ?
In2 In7 . . 2.776(19) 2.768(19) 2.785(19) ?
In2 In8 . 1_4445 3.146(14) 3.115(15) 3.177(15) ?
In2 In8 . 2_4545 3.146(14) 3.115(15) 3.177(15) ?
In2 In14 . . 3.201(15) 3.169(15) 3.233(15) ?
In2 In14 . 2_5455 3.201(15) 3.169(15) 3.233(15) ?
In3 In4 . . 2.638(19) 2.619(19) 2.655(19) ?
In3 In11 . . 3.201(14) 3.159(14) 3.243(14) ?
In3 In11 . 2_5555 3.201(14) 3.159(14) 3.243(14) ?
In3 In15 . . 3.203(15) 3.170(15) 3.236(15) ?
In3 In15 . 2_5555 3.203(15) 3.170(15) 3.236(15) ?
In3 In21 . . 2.97(2) 2.94(2) 3.01(2) ?
In4 In12 . . 3.213(14) 3.158(14) 3.268(14) ?
In4 In12 . 2_5555 3.213(14) 3.158(14) 3.268(14) ?
In4 In16 . . 3.208(15) 3.151(15) 3.265(15) ?
In4 In16 . 2_5555 3.208(15) 3.151(15) 3.265(15) ?
In4 In22 . . 2.85(2) 2.82(2) 2.90(2) ?
In5 In5 . 2_5555 3.267(10) 3.258(10) 3.276(10) ?
In5 In8 . . 3.298(15) 3.265(15) 3.332(15) ?
In5 In9 . 2_6565 3.270(15) 3.245(15) 3.296(15) ?
In5 In13 . . 3.271(17) 3.237(17) 3.306(17) ?
In5 In14 . 2_6565 3.300(16) 3.269(17) 3.331(17) ?
In5 In19 . . 3.080(16) 3.057(16) 3.102(16) ?
In5 In20 . 1_6565 3.130(17) 3.110(17) 3.149(17) ?
In5 In21 . . 3.25(2) 3.23(2) 3.26(2) ?
In5 In22 . 1_6565 3.30(2) 3.28(2) 3.32(2) ?
In6 In10 . 1_5565 3.211(16) 3.198(16) 3.223(16) ?
In6 In10 . 2_5665 3.211(16) 3.198(16) 3.223(16) ?
In6 In15 . 1_5565 3.402(10) 3.380(10) 3.425(10) ?
In6 In15 . 2_5665 3.402(10) 3.380(10) 3.425(10) ?
In6 Se4 . 1_5565 3.28(3) 3.16(4) 3.40(4) ?
In7 In10 . 1_5445 3.320(16) 3.297(16) 3.343(16) ?
In7 In10 . 2_5545 3.320(16) 3.297(16) 3.343(16) ?
In7 In11 . 1_5445 3.420(11) 3.398(11) 3.443(11) ?
In7 In11 . 2_5545 3.420(11) 3.398(11) 3.443(11) ?
In7 Se2 . 1_5445 3.23(2) 3.14(2) 3.32(2) ?
In8 In13 . . 3.392(16) 3.377(16) 3.409(16) ?
In8 In15 . . 3.145(15) 3.101(15) 3.191(15) ?
In8 In16 . 2_6555 3.139(16) 3.134(16) 3.144(16) ?
In8 In17 . . 3.288(15) 3.279(16) 3.292(16) ?
In8 In21 . . 3.500(13) 3.408(15) 3.616(15) ?
In8 Se4 . . 2.943(17) 2.885(17) 3.000(17) ?
In9 In14 . . 3.386(16) 3.376(16) 3.401(16) ?
In9 In15 . 2_4555 3.146(16) 3.131(16) 3.160(16) ?
In9 In16 . . 3.107(15) 3.074(15) 3.143(15) ?
In9 In18 . . 3.268(15) 3.231(16) 3.307(16) ?
In9 In22 . . 3.489(14) 3.381(15) 3.621(15) ?
In9 Se4 . 1_4455 2.931(17) 2.866(18) 2.993(18) ?
In10 In10 . 2_5655 3.277(10) 3.272(10) 3.282(10) ?
In10 In11 . . 3.276(14) 3.258(14) 3.293(14) ?
In10 In12 . 2_5555 3.283(14) 3.268(14) 3.298(14) ?
In10 In15 . . 3.275(16) 3.251(16) 3.299(16) ?
In10 In16 . 2_5555 3.280(16) 3.253(16) 3.308(16) ?
In10 In17 . . 3.073(15) 3.048(16) 3.099(16) ?
In10 In18 . 1_5655 3.132(16) 3.108(16) 3.154(16) ?
In11 In13 . . 3.115(16) 3.085(16) 3.147(16) ?
In11 In14 . 2_5565 3.145(15) 3.137(15) 3.153(15) ?
In11 In16 . 2_5555 3.407(16) 3.399(16) 3.416(16) ?
In11 In20 . 1_5565 3.252(16) 3.202(17) 3.303(17) ?
In11 Se1 . . 2.908(15) 2.896(15) 2.923(15) ?
In12 In13 . 2_5545 3.132(15) 3.128(15) 3.136(15) ?
In12 In14 . . 3.146(16) 3.108(16) 3.185(16) ?
In12 In15 . 2_5555 3.388(16) 3.371(16) 3.404(16) ?
In12 In19 . 1_5545 3.340(16) 3.318(16) 3.361(16) ?
In12 Se1 . 1_5545 2.976(15) 2.956(16) 2.999(16) ?
In13 In17 . . 3.307(14) 3.275(15) 3.335(15) ?
In13 In21 . . 3.476(14) 3.366(15) 3.611(15) ?
In13 Se2 . . 2.952(18) 2.896(18) 3.008(18) ?
In14 In18 . . 3.280(15) 3.241(15) 3.316(15) ?
In14 In22 . . 3.503(13) 3.409(14) 3.620(14) ?
In14 Se2 . 1_5445 2.926(18) 2.874(19) 2.978(19) ?
In15 In19 . 1_5545 3.302(14) 3.284(14) 3.319(14) ?
In15 Se3 . . 2.933(16) 2.901(17) 2.991(17) ?
In16 In20 . 1_5565 3.258(14) 3.209(14) 3.307(14) ?
In16 Se3 . 1_4555 2.955(16) 2.931(17) 2.991(17) ?
In17 Se2 . . 3.43(2) 3.27(2) 3.59(2) ?
In17 Se4 . . 3.62(3) 3.44(3) 3.80(3) ?
In18 Se4 . 1_4455 3.60(4) 3.40(4) 3.80(4) ?
In19 Se1 . . 3.75(3) 3.47(3) 4.04(3) ?
In19 Se3 . 1_5565 3.63(3) 3.30(3) 3.97(3) ?
In20 In21 . 1_4545 3.82(3) 3.49(3) 4.15(3) ?
In20 Se1 . 1_5545 3.55(3) 3.27(3) 3.84(3) ?
In20 Se3 . 1_4545 3.57(3) 3.21(3) 3.95(3) ?
In21 Se1 . . 3.74(3) 2.98(3) 4.50(3) ?
In21 Se3 . . 3.46(3) 2.67(3) 4.26(3) ?
In22 Se1 . 1_5545 3.41(3) 2.66(3) 4.17(3) ?
In22 Se3 . 1_4555 3.70(3) 2.91(3) 4.49(3) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_ssg_symmetry_1
_geom_torsion_site_ssg_symmetry_2
_geom_torsion_site_ssg_symmetry_3
_geom_torsion_site_ssg_symmetry_4
_geom_torsion_av
_geom_torsion_min
_geom_torsion_max
? ? ? ? ? ? ? ? ? ? ?
loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?
loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?
loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?
loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?
loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?
loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
1 0.29(2) 1 0 0 0 1 0 0 0 1
2 0.178(13) 1 0 0 0 -1 0 0 0 -1
3 0.182(11) -1 0 0 0 -1 0 0 0 -1
4 0.351(13) -1 0 0 0 1 0 0 0 1
loop_
_jana_atom_site_adp_c_label
_jana_atom_site_adp_c_type_symbol
_jana_atom_site_adp_c_111
_jana_atom_site_adp_c_112
_jana_atom_site_adp_c_113
_jana_atom_site_adp_c_122
_jana_atom_site_adp_c_123
_jana_atom_site_adp_c_133
_jana_atom_site_adp_c_222
_jana_atom_site_adp_c_223
_jana_atom_site_adp_c_233
_jana_atom_site_adp_c_333
? ? ? ? ? ? ? ? ? ? ? ?
loop_
_jana_atom_site_adp_d_label
_jana_atom_site_adp_d_type_symbol
_jana_atom_site_adp_d_1111
_jana_atom_site_adp_d_1112
_jana_atom_site_adp_d_1113
_jana_atom_site_adp_d_1122
_jana_atom_site_adp_d_1123
_jana_atom_site_adp_d_1133
_jana_atom_site_adp_d_1222
_jana_atom_site_adp_d_1223
_jana_atom_site_adp_d_1233
_jana_atom_site_adp_d_1333
_jana_atom_site_adp_d_2222
_jana_atom_site_adp_d_2223
_jana_atom_site_adp_d_2233
_jana_atom_site_adp_d_2333
_jana_atom_site_adp_d_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
loop_
_jana_atom_site_adp_e_label
_jana_atom_site_adp_e_type_symbol
_jana_atom_site_adp_e_11111
_jana_atom_site_adp_e_11112
_jana_atom_site_adp_e_11113
_jana_atom_site_adp_e_11122
_jana_atom_site_adp_e_11123
_jana_atom_site_adp_e_11133
_jana_atom_site_adp_e_11222
_jana_atom_site_adp_e_11223
_jana_atom_site_adp_e_11233
_jana_atom_site_adp_e_11333
_jana_atom_site_adp_e_12222
_jana_atom_site_adp_e_12223
_jana_atom_site_adp_e_12233
_jana_atom_site_adp_e_12333
_jana_atom_site_adp_e_13333
_jana_atom_site_adp_e_22222
_jana_atom_site_adp_e_22223
_jana_atom_site_adp_e_22233
_jana_atom_site_adp_e_22333
_jana_atom_site_adp_e_23333
_jana_atom_site_adp_e_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
loop_
_jana_atom_site_adp_f_label
_jana_atom_site_adp_f_type_symbol
_jana_atom_site_adp_f_111111
_jana_atom_site_adp_f_111112
_jana_atom_site_adp_f_111113
_jana_atom_site_adp_f_111122
_jana_atom_site_adp_f_111123
_jana_atom_site_adp_f_111133
_jana_atom_site_adp_f_111222
_jana_atom_site_adp_f_111223
_jana_atom_site_adp_f_111233
_jana_atom_site_adp_f_111333
_jana_atom_site_adp_f_112222
_jana_atom_site_adp_f_112223
_jana_atom_site_adp_f_112233
_jana_atom_site_adp_f_112333
_jana_atom_site_adp_f_113333
_jana_atom_site_adp_f_122222
_jana_atom_site_adp_f_122223
_jana_atom_site_adp_f_122233
_jana_atom_site_adp_f_122333
_jana_atom_site_adp_f_123333
_jana_atom_site_adp_f_133333
_jana_atom_site_adp_f_222222
_jana_atom_site_adp_f_222223
_jana_atom_site_adp_f_222233
_jana_atom_site_adp_f_222333
_jana_atom_site_adp_f_223333
_jana_atom_site_adp_f_233333
_jana_atom_site_adp_f_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
loop_
_jana_atom_site_crenel_ortho_func_id
_jana_atom_site_crenel_ortho_func_c
_jana_atom_site_crenel_ortho_func_w
_jana_atom_site_crenel_ortho_func_eps
? ? ? ?
loop_
_jana_atom_site_occ_fourier_absolute_site_label
_jana_atom_site_occ_fourier_absolute
? ?
loop_
_jana_atom_site_occ_legendre_atom_site_label
_jana_atom_site_occ_legendre_param_order
_jana_atom_site_occ_legendre_param_coeff
? ? ?
loop_
_jana_atom_site_occ_crenel_ortho_atom_site_label
_jana_atom_site_occ_crenel_ortho_param_order
_jana_atom_site_occ_crenel_ortho_id
_jana_atom_site_occ_crenel_ortho_param_coeff
? ? ? ?
loop_
_jana_atom_site_displace_legendre_atom_site_label
_jana_atom_site_displace_legendre_axis
_jana_atom_site_displace_legendre_param_order
_jana_atom_site_displace_legendre_param_coeff
? ? ? ?
loop_
_jana_atom_site_displace_crenel_ortho_atom_site_label
_jana_atom_site_displace_crenel_ortho_axis
_jana_atom_site_displace_crenel_ortho_id
_jana_atom_site_displace_crenel_ortho_param_order
_jana_atom_site_displace_crenel_ortho_param_coeff
? ? ? ? ?
loop_
_jana_atom_site_u_legendre_atom_site_label
_jana_atom_site_u_legendre_tens_elem
_jana_atom_site_u_legendre_param_order
_jana_atom_site_u_legendre_param_coeff
? ? ? ?
loop_
_jana_atom_site_u_crenel_ortho_atom_site_label
_jana_atom_site_u_crenel_ortho_tens_elem
_jana_atom_site_u_crenel_ortho_id
_jana_atom_site_u_crenel_ortho_param_order
_jana_atom_site_u_crenel_ortho_param_coeff
? ? ? ? ?
loop_
_jana_atom_site_adp_c_fourier_atom_site_label
_jana_atom_site_adp_c_fourier_tens_elem
_jana_atom_site_adp_c_fourier_wave_vector_seq_id
_jana_atom_site_adp_c_fourier_param_cos
_jana_atom_site_adp_c_fourier_param_sin
? ? ? ? ?
loop_
_jana_atom_site_adp_d_fourier_atom_site_label
_jana_atom_site_adp_d_fourier_tens_elem
_jana_atom_site_adp_d_fourier_wave_vector_seq_id
_jana_atom_site_adp_d_fourier_param_cos
_jana_atom_site_adp_d_fourier_param_sin
? ? ? ? ?
loop_
_jana_atom_site_adp_e_fourier_atom_site_label
_jana_atom_site_adp_e_fourier_tens_elem
_jana_atom_site_adp_e_fourier_wave_vector_seq_id
_jana_atom_site_adp_e_fourier_param_cos
_jana_atom_site_adp_e_fourier_param_sin
? ? ? ? ?
loop_
_jana_atom_site_adp_f_fourier_atom_site_label
_jana_atom_site_adp_f_fourier_tens_elem
_jana_atom_site_adp_f_fourier_wave_vector_seq_id
_jana_atom_site_adp_f_fourier_param_cos
_jana_atom_site_adp_f_fourier_param_sin
? ? ? ? ?
