#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/44/2204401.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2204401
loop_
_publ_author_name
'Yamane, Hisanori'
'Sasaki, Shinya'
'Kajiwara, Takashi'
'Takahiro Yamada'
'Shimada, Masahiko'
_publ_section_title
;
 Ba₁₉In₉N₉, a subnitride containing isolated [In₅]^5{-^} and
 [In₈]^12{-^} Zintl anions
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i120
_journal_page_last               i123
_journal_paper_doi               10.1107/S160053680402224X
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          'Ba19 In9 N9'
_chemical_formula_moiety         'Ba19 In9 N9'
_chemical_formula_structural     'Ba38 N18 (In5)2 (In8)'
_chemical_formula_sum            'Ba19 In9 N9'
_chemical_formula_weight         3768.93
_chemical_name_common            'Barium indium nitride'
_chemical_name_systematic        ?
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000
_cell_angle_beta                 97.237(2)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   57.334(6)
_cell_length_b                   7.9101(8)
_cell_length_c                   10.1991(10)
_cell_measurement_reflns_used    880
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.120
_cell_measurement_theta_min      3.137
_cell_volume                     4588.6(8)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ATOMS (Dowty, 1999)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'bruker SMART CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0873
_diffrn_reflns_av_sigmaI/netI    0.0768
_diffrn_reflns_limit_h_max       79
_diffrn_reflns_limit_h_min       -57
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19778
_diffrn_reflns_theta_full        30.02
_diffrn_reflns_theta_max         30.02
_diffrn_reflns_theta_min         1.43
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    20.415
_exptl_absorpt_correction_T_max  0.46507
_exptl_absorpt_correction_T_min  0.18626
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
face indexed (XPREP; Bruker, 1997)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.456
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             6272
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         10.264
_refine_diff_density_min         -3.822
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_matrix_type           full
_refine_ls_number_parameters     198
_refine_ls_number_reflns         7053
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.952
_refine_ls_R_factor_all          0.0603
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0447P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1015
_refine_ls_wR_factor_ref         0.1061
_reflns_number_gt                5072
_reflns_number_total             7053
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            wm6029.cif
_cod_data_source_block           I
_cod_database_code               2204401
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
N1 0.22639(18) 0.7557(11) 0.8076(9) 0.031(2) Uani d . 1 N
N2 0.02974(18) 1.0000 1.1070(11) 0.019(2) Uani d S 1 N
N3 0.07203(19) 1.0000 0.3993(10) 0.017(2) Uani d S 1 N
N4 0.09761(19) 1.0000 0.7465(10) 0.018(2) Uani d S 1 N
N5 0.2104(2) 1.0000 1.1225(12) 0.027(3) Uani d S 1 N
N6 0.2537(2) 0.5000 0.5102(12) 0.028(3) Uani d S 1 N
N7 0.15528(19) 1.0000 0.9403(11) 0.021(2) Uani d S 1 N
N8 0.09420(18) 1.0000 1.0897(10) 0.017(2) Uani d S 1 N
Ba1 0.063603(10) 0.22985(7) 0.19207(6) 0.01940(12) Uani d . 1 Ba
Ba2 0.081006(10) 0.24282(7) 0.58247(5) 0.01767(12) Uani d . 1 Ba
Ba3 0.230497(11) 0.24686(7) 0.32465(6) 0.02327(13) Uani d . 1 Ba
Ba4 0.311643(11) 0.26118(8) 0.05405(6) 0.02532(14) Uani d . 1 Ba
Ba5 0.383561(10) 0.27429(7) 0.04020(6) 0.02082(13) Uani d . 1 Ba
Ba6 0.023824(14) 0.0000 0.37401(9) 0.02386(19) Uani d S 1 Ba
Ba7 0.057961(14) 0.0000 0.87532(8) 0.01984(17) Uani d S 1 Ba
Ba8 0.114270(13) 0.0000 0.32886(8) 0.01869(17) Uani d S 1 Ba
Ba9 0.140743(14) 0.0000 0.69074(8) 0.01996(17) Uani d S 1 Ba
Ba10 0.170894(14) 0.0000 0.20401(8) 0.02143(17) Uani d S 1 Ba
Ba11 0.211182(14) 0.0000 0.63349(8) 0.02095(17) Uani d S 1 Ba
Ba12 0.247621(18) 0.0000 0.00768(11) 0.0459(3) Uani d S 1 Ba
Ba13 0.286464(14) 0.0000 0.35546(8) 0.02061(17) Uani d S 1 Ba
Ba14 0.0000 0.23430(10) 0.0000 0.02306(18) Uani d S 1 Ba
In1 0.163144(13) 0.30001(9) 0.46198(7) 0.02247(16) Uani d . 1 In
In2 0.022941(14) 0.31236(11) 0.67209(8) 0.03381(19) Uani d . 1 In
In3 0.139434(19) 0.5000 0.65137(11) 0.0280(2) Uani d S 1 In
In4 0.05582(2) 0.5000 0.87495(10) 0.0275(2) Uani d S 1 In
In5 0.023349(19) 0.5000 0.40531(11) 0.0288(2) Uani d S 1 In
In6 0.118691(18) 0.5000 0.34247(11) 0.0283(2) Uani d S 1 In
In7 0.16609(2) 0.5000 0.21988(11) 0.0331(3) Uani d S 1 In
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ba Ba -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
Ba13 N1 Ba11 7_556 1_565 95.3(3)
Ba13 N1 Ba4 7_556 4_556 99.1(3)
Ba11 N1 Ba4 1_565 4_556 96.6(3)
Ba13 N1 Ba12 7_556 1_566 169.8(4)
Ba11 N1 Ba12 1_565 1_566 93.3(2)
Ba4 N1 Ba12 4_556 1_566 85.4(3)
Ba13 N1 Ba3 7_556 4_556 83.0(3)
Ba11 N1 Ba3 1_565 4_556 86.3(3)
Ba4 N1 Ba3 4_556 4_556 176.1(4)
Ba12 N1 Ba3 1_566 4_556 92.0(3)
Ba13 N1 Ba12 7_556 7_556 87.5(2)
Ba11 N1 Ba12 1_565 7_556 169.5(4)
Ba4 N1 Ba12 4_556 7_556 92.9(3)
Ba12 N1 Ba12 1_566 7_556 83.1(2)
Ba3 N1 Ba12 4_556 7_556 83.9(3)
Ba14 N2 Ba14 5_566 1_566 88.4(3)
Ba14 N2 Ba1 5_566 1_566 172.7(5)
Ba14 N2 Ba1 1_566 1_566 93.44(4)
Ba14 N2 Ba1 5_566 6_566 93.44(4)
Ba14 N2 Ba1 1_566 6_566 172.7(5)
Ba1 N2 Ba1 1_566 6_566 83.9(3)
Ba14 N2 Ba6 5_566 1_566 104.5(3)
Ba14 N2 Ba6 1_566 1_566 104.5(3)
Ba1 N2 Ba6 1_566 1_566 81.9(3)
Ba1 N2 Ba6 6_566 1_566 81.9(3)
Ba14 N2 Ba7 5_566 1_565 93.3(3)
Ba14 N2 Ba7 1_566 1_565 93.3(3)
Ba1 N2 Ba7 1_566 1_565 79.6(3)
Ba1 N2 Ba7 6_566 1_565 79.6(3)
Ba6 N2 Ba7 1_566 1_565 154.9(4)
Ba8 N3 Ba2 1_565 1_565 95.1(3)
Ba8 N3 Ba2 1_565 6_565 95.1(3)
Ba2 N3 Ba2 1_565 6_565 91.4(3)
Ba8 N3 Ba6 1_565 1_565 158.8(4)
Ba2 N3 Ba6 1_565 1_565 99.7(3)
Ba2 N3 Ba6 6_565 1_565 99.7(3)
Ba8 N3 Ba1 1_565 6_565 82.5(3)
Ba2 N3 Ba1 1_565 6_565 174.7(3)
Ba2 N3 Ba1 6_565 6_565 93.49(3)
Ba6 N3 Ba1 1_565 6_565 81.5(3)
Ba8 N3 Ba1 1_565 1_565 82.5(3)
Ba2 N3 Ba1 1_565 1_565 93.49(3)
Ba2 N3 Ba1 6_565 1_565 174.7(3)
Ba6 N3 Ba1 1_565 1_565 81.5(3)
Ba1 N3 Ba1 6_565 1_565 81.6(3)
Ba9 N4 Ba2 1_565 6_565 97.9(3)
Ba9 N4 Ba2 1_565 1_565 97.9(3)
Ba2 N4 Ba2 6_565 1_565 93.2(3)
Ba9 N4 Ba7 1_565 1_565 164.4(4)
Ba2 N4 Ba7 6_565 1_565 92.8(3)
Ba2 N4 Ba7 1_565 1_565 92.8(3)
Ba9 N4 Ba5 1_565 7_566 83.7(3)
Ba2 N4 Ba5 6_565 7_566 170.8(3)
Ba2 N4 Ba5 1_565 7_566 95.58(4)
Ba7 N4 Ba5 1_565 7_566 84.0(3)
Ba9 N4 Ba5 1_565 4_556 83.7(3)
Ba2 N4 Ba5 6_565 4_556 95.58(4)
Ba2 N4 Ba5 1_565 4_556 170.8(3)
Ba7 N4 Ba5 1_565 4_556 84.0(3)
Ba5 N4 Ba5 7_566 4_556 75.6(2)
Ba10 N5 Ba12 1_566 1_566 172.2(5)
Ba10 N5 Ba4 1_566 4_556 82.0(3)
Ba12 N5 Ba4 1_566 4_556 92.3(3)
Ba10 N5 Ba4 1_566 7_566 82.0(3)
Ba12 N5 Ba4 1_566 7_566 92.3(3)
Ba4 N5 Ba4 4_556 7_566 84.9(3)
Ba10 N5 Ba3 1_566 1_566 93.3(3)
Ba12 N5 Ba3 1_566 1_566 92.5(3)
Ba4 N5 Ba3 4_556 1_566 175.0(5)
Ba4 N5 Ba3 7_566 1_566 96.16(3)
Ba10 N5 Ba3 1_566 6_566 93.3(3)
Ba12 N5 Ba3 1_566 6_566 92.5(3)
Ba4 N5 Ba3 4_556 6_566 96.16(3)
Ba4 N5 Ba3 7_566 6_566 175.0(5)
Ba3 N5 Ba3 1_566 6_566 82.4(3)
Ba11 N6 Ba3 7_556 4_556 97.4(3)
Ba11 N6 Ba3 7_556 7_556 97.4(3)
Ba3 N6 Ba3 4_556 7_556 94.4(4)
Ba11 N6 Ba13 7_556 7_556 175.3(5)
Ba3 N6 Ba13 4_556 7_556 85.8(3)
Ba3 N6 Ba13 7_556 7_556 85.8(3)
Ba11 N6 Ba3 7_556 . 87.6(3)
Ba3 N6 Ba3 4_556 . 172.9(4)
Ba3 N6 Ba3 7_556 . 89.89(4)
Ba13 N6 Ba3 7_556 . 88.9(3)
Ba11 N6 Ba3 7_556 6_565 87.6(3)
Ba3 N6 Ba3 4_556 6_565 89.89(4)
Ba3 N6 Ba3 7_556 6_565 172.9(4)
Ba13 N6 Ba3 7_556 6_565 88.9(3)
Ba3 N6 Ba3 . 6_565 85.3(3)
Ba9 N7 Ba4 1_565 7_566 99.3(3)
Ba9 N7 Ba4 1_565 4_556 99.3(3)
Ba4 N7 Ba4 7_566 4_556 90.0(3)
Ba9 N7 Ba10 1_565 1_566 179.7(5)
Ba4 N7 Ba10 7_566 1_566 80.5(2)
Ba4 N7 Ba10 4_556 1_566 80.5(2)
Ba9 N7 Ba5 1_565 4_556 84.9(3)
Ba4 N7 Ba5 7_566 4_556 171.6(4)
Ba4 N7 Ba5 4_556 4_556 96.49(5)
Ba10 N7 Ba5 1_566 4_556 95.3(3)
Ba9 N7 Ba5 1_565 7_566 84.9(3)
Ba4 N7 Ba5 7_566 7_566 96.49(5)
Ba4 N7 Ba5 4_556 7_566 171.6(4)
Ba10 N7 Ba5 1_566 7_566 95.3(3)
Ba5 N7 Ba5 4_556 7_566 76.6(3)
Ba8 N8 Ba5 1_566 7_566 106.8(3)
Ba8 N8 Ba5 1_566 4_556 106.8(3)
Ba5 N8 Ba5 7_566 4_556 84.9(3)
Ba8 N8 Ba1 1_566 6_566 82.7(3)
Ba5 N8 Ba1 7_566 6_566 169.6(4)
Ba5 N8 Ba1 4_556 6_566 96.43(5)
Ba8 N8 Ba1 1_566 1_566 82.7(3)
Ba5 N8 Ba1 7_566 1_566 96.43(5)
Ba5 N8 Ba1 4_556 1_566 169.6(4)
Ba1 N8 Ba1 6_566 1_566 80.4(3)
Ba8 N8 Ba7 1_566 1_565 159.5(4)
Ba5 N8 Ba7 7_566 1_565 88.1(3)
Ba5 N8 Ba7 4_556 1_565 88.1(3)
Ba1 N8 Ba7 6_566 1_565 81.7(2)
Ba1 N8 Ba7 1_566 1_565 81.7(2)
In7 In1 In3 . . 109.80(3)
In7 In1 In6 . . 62.04(3)
In3 In1 In6 . . 64.09(3)
In7 In1 In1 . 6_565 57.634(18)
In3 In1 In1 . 6_565 57.655(18)
In6 In1 In1 . 6_565 59.475(16)
In2 In2 In4 6_565 . 60.445(19)
In2 In2 In5 6_565 5_566 60.947(19)
In4 In2 In5 . 5_566 112.73(3)
In2 In2 In5 6_565 . 61.415(19)
In4 In2 In5 . . 107.09(3)
In5 In2 In5 5_566 . 69.11(4)
In1 In3 In1 . 6_565 64.69(4)
In1 In3 In6 . . 60.33(3)
In1 In3 In6 6_565 . 60.33(3)
In2 In4 In2 . 6_565 59.11(4)
In2 In5 In2 2_556 5_566 58.11(4)
In2 In5 In2 2_556 6_565 110.89(4)
In2 In5 In2 5_566 6_565 83.80(3)
In2 In5 In2 2_556 . 83.80(3)
In2 In5 In2 5_566 . 110.89(4)
In2 In5 In2 6_565 . 57.17(4)
In1 In6 In1 6_565 . 61.05(3)
In1 In6 In7 6_565 . 56.48(3)
In1 In6 In7 . . 56.48(3)
In1 In6 In3 6_565 . 55.58(3)
In1 In6 In3 . . 55.58(3)
In7 In6 In3 . . 99.11(4)
In1 In7 In1 6_565 . 64.73(4)
In1 In7 In6 6_565 . 61.48(3)
In1 In7 In6 . . 61.48(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
N1 Ba13 7_556 2.663(9) yes
N1 Ba11 1_565 2.694(9) yes
N1 Ba4 4_556 2.743(10) yes
N1 Ba12 1_566 2.959(9) yes
N1 Ba3 4_556 2.962(10) yes
N1 Ba12 7_556 3.026(9) yes
N2 Ba14 5_566 2.658(7) yes
N2 Ba14 1_566 2.658(7) yes
N2 Ba1 1_566 2.721(7) yes
N2 Ba1 6_566 2.721(7) yes
N2 Ba6 1_566 2.786(11) yes
N2 Ba7 1_565 3.027(12) yes
N3 Ba8 1_565 2.612(11) yes
N3 Ba2 1_565 2.684(7) yes
N3 Ba2 6_565 2.684(7) yes
N3 Ba6 1_565 2.743(11) yes
N3 Ba1 6_565 2.784(8) yes
N3 Ba1 1_565 2.784(8) yes
N4 Ba9 1_565 2.606(11) yes
N4 Ba2 6_565 2.644(7) yes
N4 Ba2 1_565 2.644(7) yes
N4 Ba7 1_565 2.765(11) yes
N4 Ba5 7_566 2.914(8) yes
N4 Ba5 4_556 2.914(8) yes
N5 Ba10 1_566 2.508(12) yes
N5 Ba12 1_566 2.562(12) yes
N5 Ba4 4_556 2.799(9) yes
N5 Ba4 7_566 2.799(9) yes
N5 Ba3 1_566 2.965(9) yes
N5 Ba3 6_566 2.965(9) yes
N6 Ba11 7_556 2.635(13) yes
N6 Ba3 4_556 2.662(8) yes
N6 Ba3 7_556 2.662(8) yes
N6 Ba13 7_556 2.825(13) yes
N6 Ba3 . 2.954(9) yes
N6 Ba3 6_565 2.954(9) yes
N7 Ba9 1_565 2.576(11) yes
N7 Ba4 7_566 2.672(8) yes
N7 Ba4 4_556 2.672(8) yes
N7 Ba10 1_566 2.726(11) yes
N7 Ba5 4_556 2.881(9) yes
N7 Ba5 7_566 2.881(9) yes
N8 Ba8 1_566 2.563(10) yes
N8 Ba5 7_566 2.644(8) yes
N8 Ba5 4_556 2.644(8) yes
N8 Ba1 6_566 2.817(8) yes
N8 Ba1 1_566 2.817(8) yes
N8 Ba7 1_565 2.820(10) yes
Ba1 N2 1_544 2.721(7) ?
Ba1 N3 1_545 2.784(8) ?
Ba1 N8 1_544 2.817(8) ?
Ba1 Ba8 . 3.5594(9) ?
Ba1 Ba6 . 3.6079(10) ?
Ba1 Ba1 6 3.6362(11) ?
Ba1 Ba7 1_554 3.6856(9) ?
Ba1 In4 1_554 3.8552(11) ?
Ba1 Ba14 . 3.9162(7) ?
Ba1 In6 . 3.9591(10) ?
Ba1 Ba2 . 3.9824(9) ?
Ba1 In5 . 3.9859(11) ?
Ba2 N4 1_545 2.644(7) ?
Ba2 N3 1_545 2.684(7) ?
Ba2 In2 . 3.6038(11) ?
Ba2 Ba2 6 3.8415(11) ?
Ba2 In3 . 3.9066(11) ?
Ba2 Ba8 . 3.9064(9) ?
Ba2 Ba7 . 3.9179(9) ?
Ba2 Ba9 . 3.9606(9) ?
Ba2 In6 . 4.0164(12) ?
Ba2 In4 . 4.0259(11) ?
Ba2 Ba2 6_565 4.0686(11) ?
Ba3 N6 7_556 2.662(8) ?
Ba3 N1 4_546 2.962(10) ?
Ba3 N5 1_544 2.965(9) ?
Ba3 Ba13 . 3.7355(10) ?
Ba3 Ba11 7_556 3.8747(10) ?
Ba3 Ba3 6 3.9054(12) ?
Ba3 Ba3 7_556 3.9728(12) ?
Ba3 Ba11 . 3.9800(10) ?
Ba3 Ba10 . 3.9931(10) ?
Ba3 Ba12 . 4.0034(12) ?
Ba3 Ba3 6_565 4.0047(12) ?
Ba4 N7 7_566 2.672(8) ?
Ba4 N1 4_546 2.743(10) ?
Ba4 N5 7_566 2.799(9) ?
Ba4 Ba10 7 3.4874(10) ?
Ba4 Ba4 6_565 3.7781(13) ?
Ba4 In7 7 3.8213(11) ?
Ba4 Ba12 7 3.8693(12) ?
Ba4 Ba9 7_556 4.0008(9) ?
Ba4 Ba11 7_556 4.0605(10) ?
Ba4 Ba13 . 4.1135(10) ?
Ba4 Ba4 6 4.1320(13) ?
Ba4 Ba5 . 4.1448(10) ?
Ba5 N8 7_566 2.644(8) ?
Ba5 N7 7_566 2.881(9) ?
Ba5 N4 7_566 2.914(8) ?
Ba5 Ba5 6_565 3.5708(12) ?
Ba5 Ba9 7_556 3.6910(9) ?
Ba5 Ba7 7_556 3.8005(10) ?
Ba5 Ba1 7 4.0740(9) ?
Ba5 In4 7_556 4.0962(11) ?
Ba5 Ba2 7_556 4.1214(9) ?
Ba5 Ba10 7 4.1449(10) ?
Ba5 Ba8 7 4.1821(10) ?
Ba6 N3 1_545 2.743(11) ?
Ba6 N2 1_544 2.786(11) ?
Ba6 Ba1 6 3.6079(10) ?
Ba6 In2 5_556 3.6328(11) ?
Ba6 In2 2_556 3.6328(11) ?
Ba6 In2 . 3.9228(12) ?
Ba6 In2 6 3.9228(12) ?
Ba6 In5 . 3.9683(4) ?
Ba6 In5 1_545 3.9683(4) ?
Ba6 Ba6 5_556 3.9794(17) ?
Ba7 N4 1_545 2.765(11) ?
Ba7 N8 1_545 2.820(10) ?
Ba7 N2 1_545 3.027(12) ?
Ba7 In2 6 3.6584(10) ?
Ba7 In2 . 3.6584(10) ?
Ba7 Ba1 1_556 3.6856(9) ?
Ba7 Ba1 6_556 3.6856(9) ?
Ba7 Ba5 7_556 3.8005(10) ?
Ba7 Ba5 4_546 3.8005(10) ?
Ba7 Ba2 6 3.9179(9) ?
Ba7 In4 1_545 3.9569(4) ?
Ba8 N8 1_544 2.563(10) ?
Ba8 N3 1_545 2.612(11) ?
Ba8 Ba1 6 3.5594(9) ?
Ba8 Ba10 . 3.6335(12) ?
Ba8 In1 . 3.7905(9) ?
Ba8 In1 6 3.7905(9) ?
Ba8 Ba9 . 3.8098(11) ?
Ba8 Ba2 6 3.9064(9) ?
Ba8 In6 . 3.9645(4) ?
Ba8 In6 1_545 3.9645(4) ?
Ba9 N7 1_545 2.576(11) ?
Ba9 N4 1_545 2.606(11) ?
Ba9 In1 6 3.6715(10) ?
Ba9 In1 . 3.6715(10) ?
Ba9 Ba5 7_556 3.6910(9) ?
Ba9 Ba5 4_546 3.6910(9) ?
Ba9 Ba2 6 3.9606(9) ?
Ba9 In3 1_545 3.9751(4) ?
Ba9 In3 . 3.9751(4) ?
Ba9 Ba4 7_556 4.0008(10) ?
Ba10 N5 1_544 2.508(12) ?
Ba10 N7 1_544 2.726(11) ?
Ba10 Ba4 4_545 3.4874(10) ?
Ba10 Ba4 7 3.4874(10) ?
Ba10 In1 . 3.6119(10) ?
Ba10 In1 6 3.6119(10) ?
Ba10 In7 1_545 3.9693(4) ?
Ba10 In7 . 3.9693(4) ?
Ba10 Ba3 6 3.9931(10) ?
Ba10 Ba5 4_545 4.1449(10) ?
Ba11 N6 7_556 2.635(13) ?
Ba11 N1 6_565 2.694(9) ?
Ba11 N1 1_545 2.694(9) ?
Ba11 Ba3 7_556 3.8747(10) ?
Ba11 Ba3 4_546 3.8747(10) ?
Ba11 In1 6 3.8811(10) ?
Ba11 In1 . 3.8811(10) ?
Ba11 Ba13 7_556 3.9585(4) ?
Ba11 Ba13 7_546 3.9585(4) ?
Ba11 Ba3 6 3.9800(10) ?
Ba11 Ba4 7_556 4.0605(10) ?
Ba12 N5 1_544 2.562(12) ?
Ba12 N1 1_544 2.959(9) ?
Ba12 N1 6_564 2.959(9) ?
Ba12 N1 4_546 3.026(9) ?
Ba12 N1 7_556 3.026(9) ?
Ba12 Ba4 4_545 3.8693(12) ?
Ba12 Ba4 7 3.8693(12) ?
Ba12 Ba13 . 3.9434(15) ?
Ba12 Ba12 7 3.9689(4) ?
Ba12 Ba12 7_545 3.9689(4) ?
Ba12 Ba3 6 4.0034(12) ?
Ba13 N1 7_556 2.663(9) ?
Ba13 N1 4_546 2.663(9) ?
Ba13 N6 7_556 2.825(13) ?
Ba13 In1 7_556 3.6002(10) ?
Ba13 In1 4_546 3.6002(10) ?
Ba13 Ba3 6 3.7355(10) ?
Ba13 Ba11 7_556 3.9585(4) ?
Ba13 Ba11 7_546 3.9585(4) ?
Ba13 Ba3 7_556 4.0496(10) ?
Ba13 Ba3 4_546 4.0496(10) ?
Ba14 N2 1_544 2.658(7) ?
Ba14 N2 5_566 2.658(7) ?
Ba14 Ba14 5 3.7067(17) ?
Ba14 In2 2_556 3.7953(9) ?
Ba14 In2 1_554 3.7953(9) ?
Ba14 Ba1 2 3.9162(7) ?
Ba14 Ba7 5_556 4.1424(9) ?
Ba14 Ba7 1_554 4.1424(9) ?
Ba14 Ba14 5_565 4.2034(17) ?
Ba14 Ba6 5 4.3057(9) ?
In1 In7 . 2.9552(12) yes
In1 In3 . 2.9569(12) yes
In1 In6 . 3.1147(11) yes
In1 In1 6_565 3.1639(14) yes
In2 In2 6_565 2.9685(17) yes
In2 In4 . 3.0090(12) yes
In2 In5 5_566 3.0565(13) yes
In2 In5 . 3.1021(13) yes
In2 In2 2_556 4.1128(17) yes
In2 In2 5_566 5.0722(17) no
In3 In1 6_565 2.9569(12) yes
In3 In6 . 3.2243(16) yes
In4 In2 6_565 3.0090(12) yes
In4 In4 5_566 9.334(2) no
In5 In2 2_556 3.0564(13) yes
In5 In2 5_566 3.0564(13) yes
In5 In2 6_565 3.1021(13) yes
In5 In5 5_566 3.493(2) yes
In6 In1 6_565 3.1147(11) yes
In6 In7 . 3.1312(16) yes
In7 In1 6_565 2.9552(12) yes
