#------------------------------------------------------------------------------
#$Date: 2021-04-07 01:29:37 +0300 (Wed, 07 Apr 2021) $
#$Revision: 263919 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/39/4003909.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_4003909
loop_
_publ_author_name
'Ovchinnikov, Alexander'
'Chanakian, Sevan'
'Zevalkink, Alexandra'
'Bobev, Svilen'
_publ_section_title
;
 Ultralow Thermal Conductivity and High Thermopower in a New Family of
 Zintl Antimonides Ca10MSb9 (M = Ga, In, Mn, Zn) with Complex Structures
 and Heavy Disorder
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/acs.chemmater.0c04940
_journal_year                    2021
_chemical_formula_sum            'Ca11.01 In0.35 Sb9'
_chemical_formula_weight         1577.79
_space_group_crystal_system      tetragonal
_space_group_IT_number           136
_space_group_name_Hall           '-P 4n 2n'
_space_group_name_H-M_alt        'P 42/m n m'
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.9235(19)
_cell_length_b                   11.9235
_cell_length_c                   17.186(3)
_cell_measurement_reflns_used    686
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.19
_cell_measurement_theta_min      4.16
_cell_volume                     2443.3(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SHELXT
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1001
_diffrn_reflns_av_unetI/netI     0.0663
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11443
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.250
_diffrn_reflns_theta_min         2.079
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    12.406
_exptl_absorpt_correction_T_max  0.26
_exptl_absorpt_correction_T_min  0.11
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    4.289
_exptl_crystal_description       block
_exptl_crystal_F_000             2786
_exptl_crystal_size_max          0.074
_exptl_crystal_size_mid          0.053
_exptl_crystal_size_min          0.032
_refine_diff_density_max         1.591
_refine_diff_density_min         -1.272
_refine_diff_density_rms         0.304
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     75
_refine_ls_number_reflns         1366
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0615
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0150P)²+27.8046P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0826
_refine_ls_wR_factor_ref         0.0895
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1051
_reflns_number_total             1366
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cm0c04940_si_001.cif
_cod_data_source_block           shelx
_cod_original_cell_volume        2443.4(9)
_cod_database_code               4003909
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.460
_shelx_estimated_absorpt_t_max   0.692
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y, x, -z'
'-y, -x, -z'
'-x, -y, -z'
'x, y, -z'
'y-1/2, -x-1/2, -z-1/2'
'-y-1/2, x-1/2, -z-1/2'
'x-1/2, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z-1/2'
'-y, -x, z'
'y, x, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ca1 Ca 0.00715(18) 0.25188(17) 0.18952(12) 0.0170(5) Uani 1 1 d . . . . .
Ca2 Ca 0.01209(17) 0.33644(17) 0.39622(11) 0.0146(5) Uani 1 1 d . . . . .
Ca3 Ca 0.1812(3) 0.8188(3) 0.0000 0.0181(10) Uani 1 4 d S T P . .
Ca4 Ca 0.1606(7) 0.1606(7) 0.0000 0.036(3) Uani 0.666(6) 4 d S T P . .
Ca5 Ca 0.3128(10) 0.3128(10) 0.0000 0.024(5) Uani 0.343(16) 4 d S T P . .
Ca6 Ca 0.0000 0.0000 0.3540(3) 0.0205(10) Uani 1 4 d S T P . .
In1 In 0.0991(3) 0.0991(3) 0.0000 0.0141(15) Uani 0.334(6) 4 d S T P . .
In2 In 0.375(5) 0.375(5) 0.0000 0.0141(15) Uani 0.020(4) 4 d S T P . .
Sb1 Sb 0.21986(6) 0.21986(6) 0.31826(6) 0.0165(3) Uani 1 2 d S T P . .
Sb2A Sb 0.3023(4) 0.3023(4) 0.1665(4) 0.0147(9) Uani 0.666(6) 2 d S T P . .
Sb2B Sb 0.3155(10) 0.3155(10) 0.1786(10) 0.0147(9) Uani 0.334(6) 2 d S T P . .
Sb3A Sb 0.0060(3) 0.3519(3) 0.0000 0.0131(6) Uani 0.666(6) 2 d S T P . .
Sb3B Sb 0.0379(6) 0.3304(7) 0.0000 0.0131(6) Uani 0.334(6) 2 d S T P . .
Sb4 Sb 0.37482(9) 0.62518(9) 0.0000 0.0191(4) Uani 1 4 d S T P . .
Sb5 Sb 0.0000 0.0000 0.13149(8) 0.0167(3) Uani 1 4 d S T P . .
Sb6 Sb 0.0000 0.5000 0.2500 0.0104(3) Uani 1 4 d S T P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ca Ca 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Sb6 Ca1 Sb5 176.74(8) . . ?
Sb6 Ca1 Sb2B 89.05(18) . 11_566 ?
Sb5 Ca1 Sb2B 88.10(18) . 11_566 ?
Sb6 Ca1 Sb1 84.85(5) . . ?
Sb5 Ca1 Sb1 96.83(6) . . ?
Sb2B Ca1 Sb1 92.4(3) 11_566 . ?
Sb6 Ca1 Sb3B 93.48(14) . . ?
Sb5 Ca1 Sb3B 87.84(14) . . ?
Sb2B Ca1 Sb3B 142.5(3) 11_566 . ?
Sb1 Ca1 Sb3B 125.07(14) . . ?
Sb6 Ca1 Sb1 83.89(5) . 11_566 ?
Sb5 Ca1 Sb1 93.08(5) . 11_566 ?
Sb2B Ca1 Sb1 50.6(3) 11_566 11_566 ?
Sb1 Ca1 Sb1 141.35(7) . 11_566 ?
Sb3B Ca1 Sb1 92.46(12) . 11_566 ?
Sb6 Ca1 Sb3A 89.24(8) . . ?
Sb5 Ca1 Sb3A 91.74(8) . . ?
Sb2B Ca1 Sb3A 136.2(3) 11_566 . ?
Sb1 Ca1 Sb3A 130.93(9) . . ?
Sb3B Ca1 Sb3A 7.59(9) . . ?
Sb1 Ca1 Sb3A 85.75(8) 11_566 . ?
Sb6 Ca1 Sb2A 85.51(9) . 11_566 ?
Sb5 Ca1 Sb2A 91.63(9) . 11_566 ?
Sb2B Ca1 Sb2A 3.5(2) 11_566 11_566 ?
Sb1 Ca1 Sb2A 92.26(15) . 11_566 ?
Sb3B Ca1 Sb2A 142.47(19) . 11_566 ?
Sb1 Ca1 Sb2A 50.07(15) 11_566 11_566 ?
Sb3A Ca1 Sb2A 135.81(17) . 11_566 ?
Sb6 Ca1 Sb2A 84.56(8) . . ?
Sb5 Ca1 Sb2A 98.66(8) . . ?
Sb2B Ca1 Sb2A 142.2(4) 11_566 . ?
Sb1 Ca1 Sb2A 49.99(13) . . ?
Sb3B Ca1 Sb2A 75.15(17) . . ?
Sb1 Ca1 Sb2A 162.49(12) 11_566 . ?
Sb3A Ca1 Sb2A 80.97(14) . . ?
Sb2A Ca1 Sb2A 141.65(8) 11_566 . ?
Sb6 Ca1 Ca2 54.85(4) . . ?
Sb5 Ca1 Ca2 124.22(7) . . ?
Sb2B Ca1 Ca2 54.5(2) 11_566 . ?
Sb1 Ca1 Ca2 52.45(4) . . ?
Sb3B Ca1 Ca2 147.40(15) . . ?
Sb1 Ca1 Ca2 91.52(6) 11_566 . ?
Sb3A Ca1 Ca2 144.03(9) . . ?
Sb2A Ca1 Ca2 52.26(10) 11_566 . ?
Sb2A Ca1 Ca2 92.55(12) . . ?
Sb6 Ca1 Sb2B 81.53(13) . . ?
Sb5 Ca1 Sb2B 101.66(14) . . ?
Sb2B Ca1 Sb2B 139.18(13) 11_566 . ?
Sb1 Ca1 Sb2B 47.4(3) . . ?
Sb3B Ca1 Sb2B 78.0(3) . . ?
Sb1 Ca1 Sb2B 162.00(19) 11_566 . ?
Sb3A Ca1 Sb2B 83.6(3) . . ?
Sb2A Ca1 Sb2B 138.4(4) 11_566 . ?
Sb2A Ca1 Sb2B 4.0(3) . . ?
Ca2 Ca1 Sb2B 88.7(2) . . ?
Sb6 Ca1 Ca2 53.93(4) . 11_566 ?
Sb5 Ca1 Ca2 124.76(7) . 11_566 ?
Sb2B Ca1 Ca2 94.3(3) 11_566 11_566 ?
Sb1 Ca1 Ca2 138.00(7) . 11_566 ?
Sb3B Ca1 Ca2 58.67(10) . 11_566 ?
Sb1 Ca1 Ca2 51.35(5) 11_566 11_566 ?
Sb3A Ca1 Ca2 51.28(7) . 11_566 ?
Sb2A Ca1 Ca2 92.12(16) 11_566 11_566 ?
Sb2A Ca1 Ca2 111.14(12) . 11_566 ?
Ca2 Ca1 Ca2 100.41(7) . 11_566 ?
Sb2B Ca1 Ca2 111.0(2) . 11_566 ?
Sb1 Ca2 Sb3A 96.88(9) . 3 ?
Sb1 Ca2 Sb3B 170.01(12) . 11_566 ?
Sb3A Ca2 Sb3B 74.37(11) 3 11_566 ?
Sb1 Ca2 Sb6 88.28(5) . . ?
Sb3A Ca2 Sb6 94.43(7) 3 . ?
Sb3B Ca2 Sb6 97.07(11) 11_566 . ?
Sb1 Ca2 Sb2A 104.17(12) . 11_566 ?
Sb3A Ca2 Sb2A 158.43(14) 3 11_566 ?
Sb3B Ca2 Sb2A 84.25(13) 11_566 11_566 ?
Sb6 Ca2 Sb2A 90.88(16) . 11_566 ?
Sb1 Ca2 Sb3A 164.32(9) . 11_566 ?
Sb3A Ca2 Sb3A 67.45(12) 3 11_566 ?
Sb3B Ca2 Sb3A 8.20(9) 11_566 11_566 ?
Sb6 Ca2 Sb3A 93.04(7) . 11_566 ?
Sb2A Ca2 Sb3A 91.43(11) 11_566 11_566 ?
Sb1 Ca2 Sb2B 98.9(2) . 11_566 ?
Sb3A Ca2 Sb2B 163.8(2) 3 11_566 ?
Sb3B Ca2 Sb2B 89.6(2) 11_566 11_566 ?
Sb6 Ca2 Sb2B 89.8(3) . 11_566 ?
Sb2A Ca2 Sb2B 5.4(3) 11_566 11_566 ?
Sb3A Ca2 Sb2B 96.8(2) 11_566 11_566 ?
Sb1 Ca2 Sb4 65.11(4) . 11_566 ?
Sb3A Ca2 Sb4 88.51(8) 3 11_566 ?
Sb3B Ca2 Sb4 109.15(11) 11_566 11_566 ?
Sb6 Ca2 Sb4 153.39(7) . 11_566 ?
Sb2A Ca2 Sb4 96.03(17) 11_566 11_566 ?
Sb3A Ca2 Sb4 112.38(7) 11_566 11_566 ?
Sb2B Ca2 Sb4 94.7(3) 11_566 11_566 ?
Sb1 Ca2 Ca5 122.2(3) . 11_566 ?
Sb3A Ca2 Ca5 113.07(8) 3 11_566 ?
Sb3B Ca2 Ca5 59.1(2) 11_566 11_566 ?
Sb6 Ca2 Ca5 133.6(2) . 11_566 ?
Sb2A Ca2 Ca5 50.88(14) 11_566 11_566 ?
Sb3A Ca2 Ca5 66.9(2) 11_566 11_566 ?
Sb2B Ca2 Ca5 54.5(3) 11_566 11_566 ?
Sb4 Ca2 Ca5 67.5(3) 11_566 11_566 ?
Sb1 Ca2 In2 105.5(13) . 11_566 ?
Sb3A Ca2 In2 114.54(7) 3 11_566 ?
Sb3B Ca2 In2 74.7(12) 11_566 11_566 ?
Sb6 Ca2 In2 145.5(8) . 11_566 ?
Sb2A Ca2 In2 55.3(5) 11_566 11_566 ?
Sb3A Ca2 In2 82.0(12) 11_566 11_566 ?
Sb2B Ca2 In2 57.3(5) 11_566 11_566 ?
Sb4 Ca2 In2 51.5(12) 11_566 11_566 ?
Ca5 Ca2 In2 17.4(13) 11_566 11_566 ?
Sb1 Ca2 Sb3B 95.56(14) . 3 ?
Sb3A Ca2 Sb3B 4.26(5) 3 3 ?
Sb3B Ca2 Sb3B 76.1(2) 11_566 3 ?
Sb6 Ca2 Sb3B 90.35(9) . 3 ?
Sb2A Ca2 Sb3B 160.26(18) 11_566 3 ?
Sb3A Ca2 Sb3B 68.83(13) 11_566 3 ?
Sb2B Ca2 Sb3B 165.6(3) 11_566 3 ?
Sb4 Ca2 Sb3B 91.62(13) 11_566 3 ?
Ca5 Ca2 Sb3B 117.02(9) 11_566 3 ?
In2 Ca2 Sb3B 118.79(8) 11_566 3 ?
Sb1 Ca2 Ca2 115.25(4) . 10_556 ?
Sb3A Ca2 Ca2 55.46(5) 3 10_556 ?
Sb3B Ca2 Ca2 55.90(10) 11_566 10_556 ?
Sb6 Ca2 Ca2 142.11(4) . 10_556 ?
Sb2A Ca2 Ca2 109.78(13) 11_566 10_556 ?
Sb3A Ca2 Ca2 56.35(5) 11_566 10_556 ?
Sb2B Ca2 Ca2 113.5(3) 11_566 10_556 ?
Sb4 Ca2 Ca2 58.03(3) 11_566 10_556 ?
Ca5 Ca2 Ca2 59.00(4) 11_566 10_556 ?
In2 Ca2 Ca2 59.31(15) 11_566 10_556 ?
Sb3B Ca2 Ca2 59.68(6) 3 10_556 ?
Sb3A Ca3 Sb3A 174.7(2) 7_565 9_565 ?
Sb3A Ca3 Sb3B 8.12(11) 7_565 7_565 ?
Sb3A Ca3 Sb3B 166.6(2) 9_565 7_565 ?
Sb3A Ca3 Sb3B 166.6(2) 7_565 9_565 ?
Sb3A Ca3 Sb3B 8.12(11) 9_565 9_565 ?
Sb3B Ca3 Sb3B 158.5(3) 7_565 9_565 ?
Sb3A Ca3 Sb4 92.63(11) 7_565 . ?
Sb3A Ca3 Sb4 92.63(11) 9_565 . ?
Sb3B Ca3 Sb4 100.75(14) 7_565 . ?
Sb3B Ca3 Sb4 100.75(14) 9_565 . ?
Sb3A Ca3 In1 116.05(17) 7_565 9_565 ?
Sb3A Ca3 In1 58.70(10) 9_565 9_565 ?
Sb3B Ca3 In1 107.92(19) 7_565 9_565 ?
Sb3B Ca3 In1 50.57(13) 9_565 9_565 ?
Sb4 Ca3 In1 151.32(9) . 9_565 ?
Sb3A Ca3 In1 58.70(10) 7_565 1_565 ?
Sb3A Ca3 In1 116.05(17) 9_565 1_565 ?
Sb3B Ca3 In1 50.57(13) 7_565 1_565 ?
Sb3B Ca3 In1 107.92(19) 9_565 1_565 ?
Sb4 Ca3 In1 151.32(9) . 1_565 ?
In1 Ca3 In1 57.35(17) 9_565 1_565 ?
Sb3A Ca3 Sb1 91.24(5) 7_565 12_666 ?
Sb3A Ca3 Sb1 91.24(5) 9_565 12_666 ?
Sb3B Ca3 Sb1 95.04(6) 7_565 12_666 ?
Sb3B Ca3 Sb1 95.04(6) 9_565 12_666 ?
Sb4 Ca3 Sb1 61.89(7) . 12_666 ?
In1 Ca3 Sb1 114.42(5) 9_565 12_666 ?
In1 Ca3 Sb1 114.42(5) 1_565 12_666 ?
Sb3A Ca3 Sb1 91.24(5) 7_565 3_554 ?
Sb3A Ca3 Sb1 91.24(5) 9_565 3_554 ?
Sb3B Ca3 Sb1 95.04(6) 7_565 3_554 ?
Sb3B Ca3 Sb1 95.04(6) 9_565 3_554 ?
Sb4 Ca3 Sb1 61.89(7) . 3_554 ?
In1 Ca3 Sb1 114.42(5) 9_565 3_554 ?
In1 Ca3 Sb1 114.42(5) 1_565 3_554 ?
Sb1 Ca3 Sb1 123.78(13) 12_666 3_554 ?
Sb3A Ca3 Sb5 87.89(9) 7_565 9_565 ?
Sb3A Ca3 Sb5 87.89(9) 9_565 9_565 ?
Sb3B Ca3 Sb5 81.37(11) 7_565 9_565 ?
Sb3B Ca3 Sb5 81.37(11) 9_565 9_565 ?
Sb4 Ca3 Sb5 143.51(4) . 9_565 ?
In1 Ca3 Sb5 45.14(7) 9_565 9_565 ?
In1 Ca3 Sb5 45.14(7) 1_565 9_565 ?
Sb1 Ca3 Sb5 154.60(11) 12_666 9_565 ?
Sb1 Ca3 Sb5 81.62(3) 3_554 9_565 ?
Sb3A Ca3 Sb5 87.89(9) 7_565 1_565 ?
Sb3A Ca3 Sb5 87.89(9) 9_565 1_565 ?
Sb3B Ca3 Sb5 81.37(11) 7_565 1_565 ?
Sb3B Ca3 Sb5 81.37(11) 9_565 1_565 ?
Sb4 Ca3 Sb5 143.51(4) . 1_565 ?
In1 Ca3 Sb5 45.14(7) 9_565 1_565 ?
In1 Ca3 Sb5 45.14(7) 1_565 1_565 ?
Sb1 Ca3 Sb5 81.62(3) 12_666 1_565 ?
Sb1 Ca3 Sb5 154.60(11) 3_554 1_565 ?
Sb5 Ca3 Sb5 72.98(9) 9_565 1_565 ?
Sb3A Ca3 Ca1 56.59(4) 7_565 16_565 ?
Sb3A Ca3 Ca1 121.88(5) 9_565 16_565 ?
Sb3B Ca3 Ca1 54.82(4) 7_565 16_565 ?
Sb3B Ca3 Ca1 118.99(7) 9_565 16_565 ?
Sb4 Ca3 Ca1 104.20(7) . 16_565 ?
In1 Ca3 Ca1 92.52(9) 9_565 16_565 ?
In1 Ca3 Ca1 61.69(6) 1_565 16_565 ?
Sb1 Ca3 Ca1 53.51(3) 12_666 16_565 ?
Sb1 Ca3 Ca1 145.67(6) 3_554 16_565 ?
Sb5 Ca3 Ca1 106.36(10) 9_565 16_565 ?
Sb5 Ca3 Ca1 47.47(4) 1_565 16_565 ?
In1 Ca4 Sb3B 99.1(4) . . ?
In1 Ca4 Sb3B 99.1(4) . 7 ?
Sb3B Ca4 Sb3B 161.7(7) . 7 ?
In1 Ca4 Ca5 180.0(9) . . ?
Sb3B Ca4 Ca5 80.9(4) . . ?
Sb3B Ca4 Ca5 80.9(4) 7 . ?
In1 Ca4 Sb3A 96.1(3) . 7 ?
Sb3B Ca4 Sb3A 164.8(6) . 7 ?
Sb3B Ca4 Sb3A 3.1(3) 7 7 ?
Ca5 Ca4 Sb3A 83.9(3) . 7 ?
In1 Ca4 Sb3A 96.1(3) . . ?
Sb3B Ca4 Sb3A 3.1(3) . . ?
Sb3B Ca4 Sb3A 164.8(6) 7 . ?
Ca5 Ca4 Sb3A 83.9(3) . . ?
Sb3A Ca4 Sb3A 167.9(5) 7 . ?
In1 Ca4 Sb5 39.85(13) . 9 ?
Sb3B Ca4 Sb5 97.0(3) . 9 ?
Sb3B Ca4 Sb5 97.0(3) 7 9 ?
Ca5 Ca4 Sb5 140.15(13) . 9 ?
Sb3A Ca4 Sb5 94.65(19) 7 9 ?
Sb3A Ca4 Sb5 94.65(19) . 9 ?
In1 Ca4 Sb5 39.85(13) . . ?
Sb3B Ca4 Sb5 97.0(3) . . ?
Sb3B Ca4 Sb5 97.0(3) 7 . ?
Ca5 Ca4 Sb5 140.15(13) . . ?
Sb3A Ca4 Sb5 94.65(19) 7 . ?
Sb3A Ca4 Sb5 94.65(19) . . ?
Sb5 Ca4 Sb5 79.7(3) 9 . ?
In1 Ca4 In2 180.0(8) . . ?
Sb3B Ca4 In2 80.9(4) . . ?
Sb3B Ca4 In2 80.9(4) 7 . ?
Ca5 Ca4 In2 0.00(8) . . ?
Sb3A Ca4 In2 83.9(3) 7 . ?
Sb3A Ca4 In2 83.9(3) . . ?
Sb5 Ca4 In2 140.15(13) 9 . ?
Sb5 Ca4 In2 140.15(13) . . ?
In1 Ca4 Sb2A 129.9(2) . 10 ?
Sb3B Ca4 Sb2A 84.2(2) . 10 ?
Sb3B Ca4 Sb2A 84.2(2) 7 10 ?
Ca5 Ca4 Sb2A 50.1(2) . 10 ?
Sb3A Ca4 Sb2A 86.12(18) 7 10 ?
Sb3A Ca4 Sb2A 86.12(18) . 10 ?
Sb5 Ca4 Sb2A 90.02(15) 9 10 ?
Sb5 Ca4 Sb2A 169.7(3) . 10 ?
In2 Ca4 Sb2A 50.1(2) . 10 ?
In1 Ca4 Sb2A 129.9(2) . . ?
Sb3B Ca4 Sb2A 84.2(2) . . ?
Sb3B Ca4 Sb2A 84.2(2) 7 . ?
Ca5 Ca4 Sb2A 50.1(2) . . ?
Sb3A Ca4 Sb2A 86.12(18) 7 . ?
Sb3A Ca4 Sb2A 86.12(18) . . ?
Sb5 Ca4 Sb2A 169.7(3) 9 . ?
Sb5 Ca4 Sb2A 90.02(15) . . ?
In2 Ca4 Sb2A 50.1(2) . . ?
Sb2A Ca4 Sb2A 100.3(4) 10 . ?
In1 Ca4 Ca1 82.26(18) . 10 ?
Sb3B Ca4 Ca1 59.86(7) . 10 ?
Sb3B Ca4 Ca1 123.02(3) 7 10 ?
Ca5 Ca4 Ca1 97.74(18) . 10 ?
Sb3A Ca4 Ca1 122.79(4) 7 10 ?
Sb3A Ca4 Ca1 59.13(4) . 10 ?
Sb5 Ca4 Ca1 50.23(8) 9 10 ?
Sb5 Ca4 Ca1 115.7(3) . 10 ?
In2 Ca4 Ca1 97.74(18) . 10 ?
Sb2A Ca4 Ca1 56.21(12) 10 10 ?
Sb2A Ca4 Ca1 136.8(3) . 10 ?
In2 Ca5 Ca4 180(4) . . ?
In2 Ca5 Sb2A 93.5(4) . 10 ?
Ca4 Ca5 Sb2A 86.5(4) . 10 ?
In2 Ca5 Sb2A 93.5(4) . . ?
Ca4 Ca5 Sb2A 86.5(4) . . ?
Sb2A Ca5 Sb2A 172.9(7) 10 . ?
In2 Ca5 Sb2B 89.1(4) . 10 ?
Ca4 Ca5 Sb2B 90.9(4) . 10 ?
Sb2A Ca5 Sb2B 4.4(5) 10 10 ?
Sb2A Ca5 Sb2B 177.3(7) . 10 ?
In2 Ca5 Sb2B 89.1(4) . . ?
Ca4 Ca5 Sb2B 90.9(4) . . ?
Sb2A Ca5 Sb2B 177.3(7) 10 . ?
Sb2A Ca5 Sb2B 4.4(5) . . ?
Sb2B Ca5 Sb2B 178.3(9) 10 . ?
In2 Ca5 Sb3B 131.3(2) . . ?
Ca4 Ca5 Sb3B 48.7(2) . . ?
Sb2A Ca5 Sb3B 87.7(2) 10 . ?
Sb2A Ca5 Sb3B 87.7(2) . . ?
Sb2B Ca5 Sb3B 90.6(3) 10 . ?
Sb2B Ca5 Sb3B 90.6(3) . . ?
In2 Ca5 Sb3B 131.3(3) . 7 ?
Ca4 Ca5 Sb3B 48.7(2) . 7 ?
Sb2A Ca5 Sb3B 87.7(2) 10 7 ?
Sb2A Ca5 Sb3B 87.7(2) . 7 ?
Sb2B Ca5 Sb3B 90.6(3) 10 7 ?
Sb2B Ca5 Sb3B 90.6(3) . 7 ?
Sb3B Ca5 Sb3B 97.3(5) . 7 ?
In2 Ca5 Ca2 83.0(3) . 6 ?
Ca4 Ca5 Ca2 97.0(3) . 6 ?
Sb2A Ca5 Ca2 121.43(5) 10 6 ?
Sb2A Ca5 Ca2 59.57(5) . 6 ?
Sb2B Ca5 Ca2 120.87(9) 10 6 ?
Sb2B Ca5 Ca2 58.89(6) . 6 ?
Sb3B Ca5 Ca2 135.8(4) . 6 ?
Sb3B Ca5 Ca2 56.19(14) 7 6 ?
In2 Ca5 Ca2 83.0(3) . 12_666 ?
Ca4 Ca5 Ca2 97.0(3) . 12_666 ?
Sb2A Ca5 Ca2 121.43(5) 10 12_666 ?
Sb2A Ca5 Ca2 59.57(5) . 12_666 ?
Sb2B Ca5 Ca2 120.87(9) 10 12_666 ?
Sb2B Ca5 Ca2 58.89(6) . 12_666 ?
Sb3B Ca5 Ca2 56.19(14) . 12_666 ?
Sb3B Ca5 Ca2 135.8(4) 7 12_666 ?
Ca2 Ca5 Ca2 116.10(12) 6 12_666 ?
In2 Ca5 Ca2 83.0(3) . 3_554 ?
Ca4 Ca5 Ca2 97.0(3) . 3_554 ?
Sb2A Ca5 Ca2 59.57(5) 10 3_554 ?
Sb2A Ca5 Ca2 121.43(5) . 3_554 ?
Sb2B Ca5 Ca2 58.89(6) 10 3_554 ?
Sb2B Ca5 Ca2 120.87(9) . 3_554 ?
Sb3B Ca5 Ca2 56.19(14) . 3_554 ?
Sb3B Ca5 Ca2 135.8(4) 7 3_554 ?
Ca2 Ca5 Ca2 166.0(5) 6 3_554 ?
Ca2 Ca5 Ca2 61.99(8) 12_666 3_554 ?
In2 Ca5 Ca2 83.0(3) . 13_665 ?
Ca4 Ca5 Ca2 97.0(3) . 13_665 ?
Sb2A Ca5 Ca2 59.57(5) 10 13_665 ?
Sb2A Ca5 Ca2 121.43(5) . 13_665 ?
Sb2B Ca5 Ca2 58.89(6) 10 13_665 ?
Sb2B Ca5 Ca2 120.87(9) . 13_665 ?
Sb3B Ca5 Ca2 135.8(4) . 13_665 ?
Sb3B Ca5 Ca2 56.19(14) 7 13_665 ?
Ca2 Ca5 Ca2 61.99(8) 6 13_665 ?
Ca2 Ca5 Ca2 166.0(5) 12_666 13_665 ?
Ca2 Ca5 Ca2 116.10(12) 3_554 13_665 ?
Sb2B Ca6 Sb2B 159.6(6) 12_656 11_566 ?
Sb2B Ca6 In2 140.2(11) 12_656 11_566 ?
Sb2B Ca6 In2 60.2(11) 11_566 11_566 ?
Sb2B Ca6 In2 60.2(11) 12_656 3_545 ?
Sb2B Ca6 In2 140.2(11) 11_566 3_545 ?
In2 Ca6 In2 80(2) 11_566 3_545 ?
Sb2B Ca6 Sb4 97.8(2) 12_656 11_566 ?
Sb2B Ca6 Sb4 97.8(2) 11_566 11_566 ?
In2 Ca6 Sb4 54.1(7) 11_566 11_566 ?
In2 Ca6 Sb4 54.1(7) 3_545 11_566 ?
Sb2B Ca6 Sb4 97.8(2) 12_656 3_545 ?
Sb2B Ca6 Sb4 97.8(2) 11_566 3_545 ?
In2 Ca6 Sb4 54.1(7) 11_566 3_545 ?
In2 Ca6 Sb4 54.1(7) 3_545 3_545 ?
Sb4 Ca6 Sb4 80.13(11) 11_566 3_545 ?
Sb2B Ca6 Sb2A 4.2(4) 12_656 12_656 ?
Sb2B Ca6 Sb2A 163.8(2) 11_566 12_656 ?
In2 Ca6 Sb2A 136.0(11) 11_566 12_656 ?
In2 Ca6 Sb2A 56.0(11) 3_545 12_656 ?
Sb4 Ca6 Sb2A 94.61(11) 11_566 12_656 ?
Sb4 Ca6 Sb2A 94.61(11) 3_545 12_656 ?
Sb2B Ca6 Sb2A 163.8(2) 12_656 11_566 ?
Sb2B Ca6 Sb2A 4.2(4) 11_566 11_566 ?
In2 Ca6 Sb2A 56.0(11) 11_566 11_566 ?
In2 Ca6 Sb2A 136.0(11) 3_545 11_566 ?
Sb4 Ca6 Sb2A 94.61(11) 11_566 11_566 ?
Sb4 Ca6 Sb2A 94.61(11) 3_545 11_566 ?
Sb2A Ca6 Sb2A 167.9(3) 12_656 11_566 ?
Sb2B Ca6 Sb1 88.34(5) 12_656 . ?
Sb2B Ca6 Sb1 88.34(5) 11_566 . ?
In2 Ca6 Sb1 97.18(12) 11_566 . ?
In2 Ca6 Sb1 97.18(12) 3_545 . ?
Sb4 Ca6 Sb1 59.33(3) 11_566 . ?
Sb4 Ca6 Sb1 139.46(12) 3_545 . ?
Sb2A Ca6 Sb1 89.02(3) 12_656 . ?
Sb2A Ca6 Sb1 89.02(3) 11_566 . ?
Sb2B Ca6 Sb1 88.34(5) 12_656 2 ?
Sb2B Ca6 Sb1 88.34(5) 11_566 2 ?
In2 Ca6 Sb1 97.18(13) 11_566 2 ?
In2 Ca6 Sb1 97.18(12) 3_545 2 ?
Sb4 Ca6 Sb1 139.46(12) 11_566 2 ?
Sb4 Ca6 Sb1 59.33(3) 3_545 2 ?
Sb2A Ca6 Sb1 89.02(3) 12_656 2 ?
Sb2A Ca6 Sb1 89.02(3) 11_566 2 ?
Sb1 Ca6 Sb1 161.21(14) . 2 ?
Sb2B Ca6 Sb5 79.8(3) 12_656 . ?
Sb2B Ca6 Sb5 79.8(3) 11_566 . ?
In2 Ca6 Sb5 140.0(11) 11_566 . ?
In2 Ca6 Sb5 140.0(11) 3_545 . ?
Sb4 Ca6 Sb5 139.94(5) 11_566 . ?
Sb4 Ca6 Sb5 139.94(5) 3_545 . ?
Sb2A Ca6 Sb5 83.97(14) 12_656 . ?
Sb2A Ca6 Sb5 83.97(14) 11_566 . ?
Sb1 Ca6 Sb5 80.60(7) . . ?
Sb1 Ca6 Sb5 80.60(7) 2 . ?
Sb2B Ca6 Ca5 48.7(3) 12_656 3_545 ?
Sb2B Ca6 Ca5 151.7(3) 11_566 3_545 ?
In2 Ca6 Ca5 91.5(12) 11_566 3_545 ?
In2 Ca6 Ca5 11.5(11) 3_545 3_545 ?
Sb4 Ca6 Ca5 61.56(11) 11_566 3_545 ?
Sb4 Ca6 Ca5 61.56(11) 3_545 3_545 ?
Sb2A Ca6 Ca5 44.52(19) 12_656 3_545 ?
Sb2A Ca6 Ca5 147.5(2) 11_566 3_545 ?
Sb1 Ca6 Ca5 95.83(4) . 3_545 ?
Sb1 Ca6 Ca5 95.83(4) 2 3_545 ?
Sb5 Ca6 Ca5 128.49(15) . 3_545 ?
Ca4 In1 Sb5 126.48(9) . 9 ?
Ca4 In1 Sb5 126.48(9) . . ?
Sb5 In1 Sb5 107.04(18) 9 . ?
Ca4 In1 Sb3B 59.83(19) . . ?
Sb5 In1 Sb3B 107.39(9) 9 . ?
Sb5 In1 Sb3B 107.39(9) . . ?
Ca4 In1 Sb3B 59.83(19) . 7 ?
Sb5 In1 Sb3B 107.39(9) 9 7 ?
Sb5 In1 Sb3B 107.39(9) . 7 ?
Sb3B In1 Sb3B 119.7(4) . 7 ?
Ca4 In1 Sb3A 65.22(12) . 7 ?
Sb5 In1 Sb3A 104.43(5) 9 7 ?
Sb5 In1 Sb3A 104.43(5) . 7 ?
Sb3B In1 Sb3A 125.0(2) . 7 ?
Sb3B In1 Sb3A 5.4(2) 7 7 ?
Ca4 In1 Sb3A 65.22(12) . . ?
Sb5 In1 Sb3A 104.43(5) 9 . ?
Sb5 In1 Sb3A 104.43(5) . . ?
Sb3B In1 Sb3A 5.4(2) . . ?
Sb3B In1 Sb3A 125.0(2) 7 . ?
Sb3A In1 Sb3A 130.4(2) 7 . ?
Ca4 In1 In1 180.0(6) . 9 ?
Sb5 In1 In1 53.52(9) 9 9 ?
Sb5 In1 In1 53.52(9) . 9 ?
Sb3B In1 In1 120.17(19) . 9 ?
Sb3B In1 In1 120.17(19) 7 9 ?
Sb3A In1 In1 114.78(12) 7 9 ?
Sb3A In1 In1 114.78(12) . 9 ?
Ca4 In1 Ca3 118.68(9) . 9_565 ?
Sb5 In1 Ca3 73.42(8) 9 9_565 ?
Sb5 In1 Ca3 73.42(8) . 9_565 ?
Sb3B In1 Ca3 58.85(16) . 9_565 ?
Sb3B In1 Ca3 178.5(2) 7 9_565 ?
Sb3A In1 Ca3 176.11(19) 7 9_565 ?
Sb3A In1 Ca3 53.46(8) . 9_565 ?
In1 In1 Ca3 61.32(9) 9 9_565 ?
Ca4 In1 Ca3 118.68(9) . 1_545 ?
Sb5 In1 Ca3 73.42(8) 9 1_545 ?
Sb5 In1 Ca3 73.42(8) . 1_545 ?
Sb3B In1 Ca3 178.5(2) . 1_545 ?
Sb3B In1 Ca3 58.85(16) 7 1_545 ?
Sb3A In1 Ca3 53.46(8) 7 1_545 ?
Sb3A In1 Ca3 176.11(19) . 1_545 ?
In1 In1 Ca3 61.32(9) 9 1_545 ?
Ca3 In1 Ca3 122.65(17) 9_565 1_545 ?
Ca4 In1 Ca5 0.0(6) . . ?
Sb5 In1 Ca5 126.48(9) 9 . ?
Sb5 In1 Ca5 126.48(9) . . ?
Sb3B In1 Ca5 59.83(19) . . ?
Sb3B In1 Ca5 59.83(19) 7 . ?
Sb3A In1 Ca5 65.22(12) 7 . ?
Sb3A In1 Ca5 65.22(12) . . ?
In1 In1 Ca5 180.00(9) 9 . ?
Ca3 In1 Ca5 118.68(9) 9_565 . ?
Ca3 In1 Ca5 118.68(9) 1_545 . ?
Ca4 In1 Ca1 82.42(9) . 16 ?
Sb5 In1 Ca1 138.74(12) 9 16 ?
Sb5 In1 Ca1 53.49(3) . 16 ?
Sb3B In1 Ca1 113.10(12) . 16 ?
Sb3B In1 Ca1 58.34(5) 7 16 ?
Sb3A In1 Ca1 57.53(4) 7 16 ?
Sb3A In1 Ca1 115.24(9) . 16 ?
In1 In1 Ca1 97.58(9) 9 16 ?
Ca3 In1 Ca1 121.92(6) 9_565 16 ?
Ca3 In1 Ca1 66.29(4) 1_545 16 ?
Ca5 In1 Ca1 82.42(9) . 16 ?
Ca5 In2 Sb4 134.9(11) . . ?
Ca5 In2 Sb4 134.9(11) . 9_665 ?
Sb4 In2 Sb4 90(2) . 9_665 ?
Ca5 In2 Sb2A 66.8(14) . 10 ?
Sb4 In2 Sb2A 106.2(6) . 10 ?
Sb4 In2 Sb2A 106.2(6) 9_665 10 ?
Ca5 In2 Sb2A 66.8(14) . . ?
Sb4 In2 Sb2A 106.2(6) . . ?
Sb4 In2 Sb2A 106.2(6) 9_665 . ?
Sb2A In2 Sb2A 134(3) 10 . ?
Ca5 In2 Sb2B 71.9(14) . 10 ?
Sb4 In2 Sb2B 102.7(7) . 10 ?
Sb4 In2 Sb2B 102.7(7) 9_665 10 ?
Sb2A In2 Sb2B 5.1(4) 10 10 ?
Sb2A In2 Sb2B 139(3) . 10 ?
Ca5 In2 Sb2B 71.9(14) . . ?
Sb4 In2 Sb2B 102.7(7) . . ?
Sb4 In2 Sb2B 102.7(7) 9_665 . ?
Sb2A In2 Sb2B 139(3) 10 . ?
Sb2A In2 Sb2B 5.1(4) . . ?
Sb2B In2 Sb2B 144(3) 10 . ?
Ca5 In2 Ca6 130.0(11) . 11_666 ?
Sb4 In2 Ca6 63.0(12) . 11_666 ?
Sb4 In2 Ca6 63.0(12) 9_665 11_666 ?
Sb2A In2 Ca6 163(2) 10 11_666 ?
Sb2A In2 Ca6 63.2(3) . 11_666 ?
Sb2B In2 Ca6 158(2) 10 11_666 ?
Sb2B In2 Ca6 58.1(4) . 11_666 ?
Ca5 In2 Ca6 130.0(11) . 3_554 ?
Sb4 In2 Ca6 63.0(12) . 3_554 ?
Sb4 In2 Ca6 63.0(12) 9_665 3_554 ?
Sb2A In2 Ca6 63.2(3) 10 3_554 ?
Sb2A In2 Ca6 163(2) . 3_554 ?
Sb2B In2 Ca6 58.1(4) 10 3_554 ?
Sb2B In2 Ca6 158(2) . 3_554 ?
Ca6 In2 Ca6 100(2) 11_666 3_554 ?
Ca5 In2 Ca2 79.6(13) . 3_554 ?
Sb4 In2 Ca2 62.1(3) . 3_554 ?
Sb4 In2 Ca2 136.2(19) 9_665 3_554 ?
Sb2A In2 Ca2 57.3(4) 10 3_554 ?
Sb2A In2 Ca2 113.5(12) . 3_554 ?
Sb2B In2 Ca2 57.2(4) 10 3_554 ?
Sb2B In2 Ca2 115.4(11) . 3_554 ?
Ca6 In2 Ca2 120.4(11) 11_666 3_554 ?
Ca6 In2 Ca2 74.0(4) 3_554 3_554 ?
Ca5 In2 Ca2 79.6(13) . 13_665 ?
Sb4 In2 Ca2 136.2(19) . 13_665 ?
Sb4 In2 Ca2 62.1(3) 9_665 13_665 ?
Sb2A In2 Ca2 57.3(4) 10 13_665 ?
Sb2A In2 Ca2 113.5(12) . 13_665 ?
Sb2B In2 Ca2 57.2(4) 10 13_665 ?
Sb2B In2 Ca2 115.4(11) . 13_665 ?
Ca6 In2 Ca2 120.4(11) 11_666 13_665 ?
Ca6 In2 Ca2 74.0(4) 3_554 13_665 ?
Ca2 In2 Ca2 114.5(8) 3_554 13_665 ?
Ca5 In2 Ca2 79.6(13) . 6 ?
Sb4 In2 Ca2 136.2(19) . 6 ?
Sb4 In2 Ca2 62.1(3) 9_665 6 ?
Sb2A In2 Ca2 113.5(12) 10 6 ?
Sb2A In2 Ca2 57.3(4) . 6 ?
Sb2B In2 Ca2 115.4(11) 10 6 ?
Sb2B In2 Ca2 57.2(4) . 6 ?
Ca6 In2 Ca2 74.0(4) 11_666 6 ?
Ca6 In2 Ca2 120.4(11) 3_554 6 ?
Ca2 In2 Ca2 159(3) 3_554 6 ?
Ca2 In2 Ca2 61.4(3) 13_665 6 ?
Sb2B Sb1 Sb2A 5.8(3) . . ?
Sb2B Sb1 Ca2 119.38(4) . . ?
Sb2A Sb1 Ca2 119.45(4) . . ?
Sb2B Sb1 Ca2 119.38(4) . 16 ?
Sb2A Sb1 Ca2 119.45(4) . 16 ?
Ca2 Sb1 Ca2 121.07(8) . 16 ?
Sb2B Sb1 Ca1 73.1(2) . . ?
Sb2A Sb1 Ca1 68.61(9) . . ?
Ca2 Sb1 Ca1 68.79(5) . . ?
Ca2 Sb1 Ca1 134.34(6) 16 . ?
Sb2B Sb1 Ca1 73.1(2) . 16 ?
Sb2A Sb1 Ca1 68.61(9) . 16 ?
Ca2 Sb1 Ca1 134.34(6) . 16 ?
Ca2 Sb1 Ca1 68.79(5) 16 16 ?
Ca1 Sb1 Ca1 75.05(7) . 16 ?
Sb2B Sb1 Ca1 62.42(18) . 12_666 ?
Sb2A Sb1 Ca1 66.57(9) . 12_666 ?
Ca2 Sb1 Ca1 69.73(5) . 12_666 ?
Ca2 Sb1 Ca1 139.25(6) 16 12_666 ?
Ca1 Sb1 Ca1 86.32(7) . 12_666 ?
Ca1 Sb1 Ca1 135.09(4) 16 12_666 ?
Sb2B Sb1 Ca1 62.42(18) . 6 ?
Sb2A Sb1 Ca1 66.57(9) . 6 ?
Ca2 Sb1 Ca1 139.25(6) . 6 ?
Ca2 Sb1 Ca1 69.73(5) 16 6 ?
Ca1 Sb1 Ca1 135.09(4) . 6 ?
Ca1 Sb1 Ca1 86.32(7) 16 6 ?
Ca1 Sb1 Ca1 78.69(7) 12_666 6 ?
Sb2B Sb1 Ca3 118.0(3) . 11_566 ?
Sb2A Sb1 Ca3 123.82(13) . 11_566 ?
Ca2 Sb1 Ca3 74.87(5) . 11_566 ?
Ca2 Sb1 Ca3 74.87(5) 16 11_566 ?
Ca1 Sb1 Ca3 142.00(4) . 11_566 ?
Ca1 Sb1 Ca3 142.01(4) 16 11_566 ?
Ca1 Sb1 Ca3 70.75(6) 12_666 11_566 ?
Ca1 Sb1 Ca3 70.75(6) 6 11_566 ?
Sb2B Sb1 Ca6 133.3(3) . . ?
Sb2A Sb1 Ca6 127.47(13) . . ?
Ca2 Sb1 Ca6 71.87(5) . . ?
Ca2 Sb1 Ca6 71.87(5) 16 . ?
Ca1 Sb1 Ca6 70.30(6) . . ?
Ca1 Sb1 Ca6 70.30(6) 16 . ?
Ca1 Sb1 Ca6 140.20(4) 12_666 . ?
Ca1 Sb1 Ca6 140.20(4) 6 . ?
Ca3 Sb1 Ca6 108.71(10) 11_566 . ?
Ca5 Sb2A Sb1 155.5(4) . . ?
Ca5 Sb2A In2 19.7(13) . . ?
Sb1 Sb2A In2 175.1(14) . . ?
Ca5 Sb2A Ca2 69.55(16) . 6 ?
Sb1 Sb2A Ca2 112.77(15) . 6 ?
In2 Sb2A Ca2 67.35(17) . 6 ?
Ca5 Sb2A Ca2 69.55(16) . 12_666 ?
Sb1 Sb2A Ca2 112.77(15) . 12_666 ?
In2 Sb2A Ca2 67.35(17) . 12_666 ?
Ca2 Sb2A Ca2 134.5(3) 6 12_666 ?
Ca5 Sb2A Ca6 80.4(4) . 11_666 ?
Sb1 Sb2A Ca6 124.10(19) . 11_666 ?
In2 Sb2A Ca6 60.8(14) . 11_666 ?
Ca2 Sb2A Ca6 77.16(17) 6 11_666 ?
Ca2 Sb2A Ca6 77.16(17) 12_666 11_666 ?
Ca5 Sb2A Ca1 132.6(3) . 12_666 ?
Sb1 Sb2A Ca1 63.36(13) . 12_666 ?
In2 Sb2A Ca1 120.1(10) . 12_666 ?
Ca2 Sb2A Ca1 137.64(17) 6 12_666 ?
Ca2 Sb2A Ca1 66.41(7) 12_666 12_666 ?
Ca6 Sb2A Ca1 73.52(13) 11_666 12_666 ?
Ca5 Sb2A Ca1 132.6(3) . 6 ?
Sb1 Sb2A Ca1 63.36(13) . 6 ?
In2 Sb2A Ca1 120.1(10) . 6 ?
Ca2 Sb2A Ca1 66.41(7) 6 6 ?
Ca2 Sb2A Ca1 137.64(17) 12_666 6 ?
Ca6 Sb2A Ca1 73.52(13) 11_666 6 ?
Ca1 Sb2A Ca1 76.29(13) 12_666 6 ?
Ca5 Sb2A Ca1 99.2(3) . . ?
Sb1 Sb2A Ca1 61.40(16) . . ?
In2 Sb2A Ca1 114.9(11) . . ?
Ca2 Sb2A Ca1 135.98(18) 6 . ?
Ca2 Sb2A Ca1 70.12(8) 12_666 . ?
Ca6 Sb2A Ca1 144.91(8) 11_666 . ?
Ca1 Sb2A Ca1 81.93(13) 12_666 . ?
Ca1 Sb2A Ca1 124.7(3) 6 . ?
Ca5 Sb2A Ca1 99.2(3) . 16 ?
Sb1 Sb2A Ca1 61.40(16) . 16 ?
In2 Sb2A Ca1 114.9(11) . 16 ?
Ca2 Sb2A Ca1 70.12(8) 6 16 ?
Ca2 Sb2A Ca1 135.98(18) 12_666 16 ?
Ca6 Sb2A Ca1 144.91(8) 11_666 16 ?
Ca1 Sb2A Ca1 124.7(3) 12_666 16 ?
Ca1 Sb2A Ca1 81.93(13) 6 16 ?
Ca1 Sb2A Ca1 70.11(16) . 16 ?
Ca5 Sb2A Ca4 43.4(4) . . ?
Sb1 Sb2A Ca4 112.1(3) . . ?
In2 Sb2A Ca4 63.1(14) . . ?
Ca2 Sb2A Ca4 81.99(12) 6 . ?
Ca2 Sb2A Ca4 81.99(12) 12_666 . ?
Ca6 Sb2A Ca4 123.8(3) 11_666 . ?
Ca1 Sb2A Ca4 140.11(10) 12_666 . ?
Ca1 Sb2A Ca4 140.11(10) 6 . ?
Ca1 Sb2A Ca4 64.18(16) . . ?
Ca1 Sb2A Ca4 64.18(16) 16 . ?
Sb1 Sb2B Ca5 145.2(6) . . ?
Sb1 Sb2B Ca6 134.1(4) . 11_666 ?
Ca5 Sb2B Ca6 80.6(6) . 11_666 ?
Sb1 Sb2B Ca2 113.3(3) . 6 ?
Ca5 Sb2B Ca2 66.6(3) . 6 ?
Ca6 Sb2B Ca2 79.3(4) 11_666 6 ?
Sb1 Sb2B Ca2 113.3(3) . 12_666 ?
Ca5 Sb2B Ca2 66.6(3) . 12_666 ?
Ca6 Sb2B Ca2 79.3(4) 11_666 12_666 ?
Ca2 Sb2B Ca2 131.0(6) 6 12_666 ?
Sb1 Sb2B In2 164.2(15) . . ?
Ca5 Sb2B In2 19.0(13) . . ?
Ca6 Sb2B In2 61.7(14) 11_666 . ?
Ca2 Sb2B In2 65.5(3) 6 . ?
Ca2 Sb2B In2 65.5(3) 12_666 . ?
Sb1 Sb2B Ca1 67.0(3) . 6 ?
Ca5 Sb2B Ca1 133.5(4) . 6 ?
Ca6 Sb2B Ca1 79.1(3) 11_666 6 ?
Ca2 Sb2B Ca1 68.67(10) 6 6 ?
Ca2 Sb2B Ca1 146.6(4) 12_666 6 ?
In2 Sb2B Ca1 123.4(9) . 6 ?
Sb1 Sb2B Ca1 67.0(3) . 12_666 ?
Ca5 Sb2B Ca1 133.5(4) . 12_666 ?
Ca6 Sb2B Ca1 79.1(3) 11_666 12_666 ?
Ca2 Sb2B Ca1 146.6(4) 6 12_666 ?
Ca2 Sb2B Ca1 68.67(10) 12_666 12_666 ?
In2 Sb2B Ca1 123.4(9) . 12_666 ?
Ca1 Sb2B Ca1 82.4(3) 6 12_666 ?
Sb1 Sb2B Ca1 59.6(3) . . ?
Ca5 Sb2B Ca1 92.1(4) . . ?
Ca6 Sb2B Ca1 146.1(2) 11_666 . ?
Ca2 Sb2B Ca1 128.1(4) 6 . ?
Ca2 Sb2B Ca1 67.52(15) 12_666 . ?
In2 Sb2B Ca1 107.9(12) . . ?
Ca1 Sb2B Ca1 126.2(6) 6 . ?
Ca1 Sb2B Ca1 82.4(3) 12_666 . ?
Sb1 Sb2B Ca1 59.6(3) . 16 ?
Ca5 Sb2B Ca1 92.1(4) . 16 ?
Ca6 Sb2B Ca1 146.1(2) 11_666 16 ?
Ca2 Sb2B Ca1 67.52(15) 6 16 ?
Ca2 Sb2B Ca1 128.1(4) 12_666 16 ?
In2 Sb2B Ca1 107.9(12) . 16 ?
Ca1 Sb2B Ca1 82.4(3) 6 16 ?
Ca1 Sb2B Ca1 126.2(6) 12_666 16 ?
Ca1 Sb2B Ca1 66.6(3) . 16 ?
Ca4 Sb3A Ca3 86.6(3) . 9_565 ?
Ca4 Sb3A Ca2 143.59(9) . 4_454 ?
Ca3 Sb3A Ca2 82.68(12) 9_565 4_454 ?
Ca4 Sb3A Ca2 143.59(9) . 11_566 ?
Ca3 Sb3A Ca2 82.68(12) 9_565 11_566 ?
Ca2 Sb3A Ca2 69.08(10) 4_454 11_566 ?
Ca4 Sb3A In1 18.7(2) . . ?
Ca3 Sb3A In1 67.85(14) 9_565 . ?
Ca2 Sb3A In1 134.89(11) 4_454 . ?
Ca2 Sb3A In1 134.89(11) 11_566 . ?
Ca4 Sb3A Ca2 95.4(3) . 12_666 ?
Ca3 Sb3A Ca2 146.22(5) 9_565 12_666 ?
Ca2 Sb3A Ca2 112.55(12) 4_454 12_666 ?
Ca2 Sb3A Ca2 75.83(9) 11_566 12_666 ?
In1 Sb3A Ca2 110.79(14) . 12_666 ?
Ca4 Sb3A Ca2 95.4(3) . 3_554 ?
Ca3 Sb3A Ca2 146.22(5) 9_565 3_554 ?
Ca2 Sb3A Ca2 75.83(9) 4_454 3_554 ?
Ca2 Sb3A Ca2 112.55(12) 11_566 3_554 ?
In1 Sb3A Ca2 110.79(14) . 3_554 ?
Ca2 Sb3A Ca2 67.31(10) 12_666 3_554 ?
Ca4 Sb3A Ca1 74.33(7) . 10 ?
Ca3 Sb3A Ca1 76.77(8) 9_565 10 ?
Ca2 Sb3A Ca1 69.36(6) 4_454 10 ?
Ca2 Sb3A Ca1 135.41(11) 11_566 10 ?
In1 Sb3A Ca1 71.09(6) . 10 ?
Ca2 Sb3A Ca1 136.23(11) 12_666 10 ?
Ca2 Sb3A Ca1 71.42(6) 3_554 10 ?
Ca4 Sb3A Ca1 74.33(7) . . ?
Ca3 Sb3A Ca1 76.77(8) 9_565 . ?
Ca2 Sb3A Ca1 135.41(11) 4_454 . ?
Ca2 Sb3A Ca1 69.36(6) 11_566 . ?
In1 Sb3A Ca1 71.09(6) . . ?
Ca2 Sb3A Ca1 71.42(6) 12_666 . ?
Ca2 Sb3A Ca1 136.23(11) 3_554 . ?
Ca1 Sb3A Ca1 139.76(13) 10 . ?
Ca4 Sb3A Ca5 43.8(3) . . ?
Ca3 Sb3A Ca5 130.4(3) 9_565 . ?
Ca2 Sb3A Ca5 134.64(15) 4_454 . ?
Ca2 Sb3A Ca5 134.64(15) 11_566 . ?
In1 Sb3A Ca5 62.5(2) . . ?
Ca2 Sb3A Ca5 59.73(17) 12_666 . ?
Ca2 Sb3A Ca5 59.73(17) 3_554 . ?
Ca1 Sb3A Ca5 87.28(10) 10 . ?
Ca1 Sb3A Ca5 87.28(10) . . ?
Ca4 Sb3B In1 21.0(3) . . ?
Ca4 Sb3B Ca3 91.6(4) . 9_565 ?
In1 Sb3B Ca3 70.6(2) . 9_565 ?
Ca4 Sb3B Ca2 106.0(3) . 12_666 ?
In1 Sb3B Ca2 122.54(19) . 12_666 ?
Ca3 Sb3B Ca2 140.59(12) 9_565 12_666 ?
Ca4 Sb3B Ca2 106.0(3) . 3_554 ?
In1 Sb3B Ca2 122.54(19) . 3_554 ?
Ca3 Sb3B Ca2 140.59(12) 9_565 3_554 ?
Ca2 Sb3B Ca2 68.19(19) 12_666 3_554 ?
Ca4 Sb3B Ca5 50.5(4) . . ?
In1 Sb3B Ca5 71.5(3) . . ?
Ca3 Sb3B Ca5 142.1(3) 9_565 . ?
Ca2 Sb3B Ca5 64.7(2) 12_666 . ?
Ca2 Sb3B Ca5 64.7(2) 3_554 . ?
Ca4 Sb3B Ca1 80.82(13) . 10 ?
In1 Sb3B Ca1 76.24(13) . 10 ?
Ca3 Sb3B Ca1 75.91(15) 9_565 10 ?
Ca2 Sb3B Ca1 140.7(2) 12_666 10 ?
Ca2 Sb3B Ca1 72.66(7) 3_554 10 ?
Ca5 Sb3B Ca1 95.15(13) . 10 ?
Ca4 Sb3B Ca1 80.82(13) . . ?
In1 Sb3B Ca1 76.24(13) . . ?
Ca3 Sb3B Ca1 75.91(15) 9_565 . ?
Ca2 Sb3B Ca1 72.66(7) 12_666 . ?
Ca2 Sb3B Ca1 140.6(2) 3_554 . ?
Ca5 Sb3B Ca1 95.15(13) . . ?
Ca1 Sb3B Ca1 145.7(3) 10 . ?
Ca4 Sb3B Ca2 146.0(2) . 4_454 ?
In1 Sb3B Ca2 133.5(2) . 4_454 ?
Ca3 Sb3B Ca2 74.77(16) 9_565 4_454 ?
Ca2 Sb3B Ca2 103.9(2) 12_666 4_454 ?
Ca2 Sb3B Ca2 71.03(12) 3_554 4_454 ?
Ca5 Sb3B Ca2 135.4(2) . 4_454 ?
Ca1 Sb3B Ca2 65.82(7) 10 4_454 ?
Ca1 Sb3B Ca2 123.73(16) . 4_454 ?
Ca4 Sb3B Ca2 146.0(2) . 11_566 ?
In1 Sb3B Ca2 133.5(2) . 11_566 ?
Ca3 Sb3B Ca2 74.77(16) 9_565 11_566 ?
Ca2 Sb3B Ca2 71.03(12) 12_666 11_566 ?
Ca2 Sb3B Ca2 103.9(2) 3_554 11_566 ?
Ca5 Sb3B Ca2 135.4(2) . 11_566 ?
Ca1 Sb3B Ca2 123.73(16) 10 11_566 ?
Ca1 Sb3B Ca2 65.82(7) . 11_566 ?
Ca2 Sb3B Ca2 60.64(11) 4_454 11_566 ?
In2 Sb4 In2 90(2) 9_665 . ?
In2 Sb4 Ca3 135.1(11) 9_665 . ?
In2 Sb4 Ca3 135.1(11) . . ?
In2 Sb4 Ca6 62.9(6) 9_665 11_666 ?
In2 Sb4 Ca6 62.9(6) . 11_666 ?
Ca3 Sb4 Ca6 130.06(5) . 11_666 ?
In2 Sb4 Ca6 62.9(6) 9_665 3_554 ?
In2 Sb4 Ca6 62.9(6) . 3_554 ?
Ca3 Sb4 Ca6 130.06(5) . 3_554 ?
Ca6 Sb4 Ca6 99.87(11) 11_666 3_554 ?
In2 Sb4 Ca2 66.4(9) 9_665 5 ?
In2 Sb4 Ca2 138.4(7) . 5 ?
Ca3 Sb4 Ca2 75.78(4) . 5 ?
Ca6 Sb4 Ca2 75.69(4) 11_666 5 ?
Ca6 Sb4 Ca2 124.29(4) 3_554 5 ?
In2 Sb4 Ca2 66.5(9) 9_665 14_665 ?
In2 Sb4 Ca2 138.4(7) . 14_665 ?
Ca3 Sb4 Ca2 75.78(4) . 14_665 ?
Ca6 Sb4 Ca2 124.29(4) 11_666 14_665 ?
Ca6 Sb4 Ca2 75.69(4) 3_554 14_665 ?
Ca2 Sb4 Ca2 63.95(7) 5 14_665 ?
In2 Sb4 Ca2 138.4(7) 9_665 3_554 ?
In2 Sb4 Ca2 66.5(9) . 3_554 ?
Ca3 Sb4 Ca2 75.78(4) . 3_554 ?
Ca6 Sb4 Ca2 124.29(4) 11_666 3_554 ?
Ca6 Sb4 Ca2 75.69(4) 3_554 3_554 ?
Ca2 Sb4 Ca2 151.55(9) 5 3_554 ?
Ca2 Sb4 Ca2 108.57(7) 14_665 3_554 ?
In2 Sb4 Ca2 138.4(7) 9_665 12_666 ?
In2 Sb4 Ca2 66.5(9) . 12_666 ?
Ca3 Sb4 Ca2 75.78(4) . 12_666 ?
Ca6 Sb4 Ca2 75.69(4) 11_666 12_666 ?
Ca6 Sb4 Ca2 124.29(4) 3_554 12_666 ?
Ca2 Sb4 Ca2 108.57(7) 5 12_666 ?
Ca2 Sb4 Ca2 151.55(9) 14_665 12_666 ?
Ca2 Sb4 Ca2 63.95(7) 3_554 12_666 ?
In2 Sb4 Ca5 101.2(12) 9_665 . ?
In2 Sb4 Ca5 11.3(11) . . ?
Ca3 Sb4 Ca5 123.77(14) . . ?
Ca6 Sb4 Ca5 69.04(8) 11_666 . ?
Ca6 Sb4 Ca5 69.04(8) 3_554 . ?
Ca2 Sb4 Ca5 144.25(7) 5 . ?
Ca2 Sb4 Ca5 144.25(7) 14_665 . ?
Ca2 Sb4 Ca5 57.43(11) 3_554 . ?
Ca2 Sb4 Ca5 57.43(11) 12_666 . ?
In2 Sb4 Ca5 11.3(11) 9_665 9_665 ?
In2 Sb4 Ca5 101.2(12) . 9_665 ?
Ca3 Sb4 Ca5 123.77(14) . 9_665 ?
Ca6 Sb4 Ca5 69.04(8) 11_666 9_665 ?
Ca6 Sb4 Ca5 69.04(8) 3_554 9_665 ?
Ca2 Sb4 Ca5 57.43(11) 5 9_665 ?
Ca2 Sb4 Ca5 57.43(11) 14_665 9_665 ?
Ca2 Sb4 Ca5 144.25(7) 3_554 9_665 ?
Ca2 Sb4 Ca5 144.25(7) 12_666 9_665 ?
Ca5 Sb4 Ca5 112.5(3) . 9_665 ?
In1 Sb5 In1 72.96(18) 9 . ?
In1 Sb5 Ca1 131.56(6) 9 16 ?
In1 Sb5 Ca1 80.97(8) . 16 ?
In1 Sb5 Ca1 80.97(8) 9 15 ?
In1 Sb5 Ca1 131.56(6) . 15 ?
Ca1 Sb5 Ca1 143.28(9) 16 15 ?
In1 Sb5 Ca1 80.97(8) 9 2 ?
In1 Sb5 Ca1 131.56(6) . 2 ?
Ca1 Sb5 Ca1 87.24(8) 16 2 ?
Ca1 Sb5 Ca1 81.35(8) 15 2 ?
In1 Sb5 Ca1 131.56(6) 9 . ?
In1 Sb5 Ca1 80.97(8) . . ?
Ca1 Sb5 Ca1 81.35(8) 16 . ?
Ca1 Sb5 Ca1 87.24(8) 15 . ?
Ca1 Sb5 Ca1 143.28(9) 2 . ?
In1 Sb5 Ca4 13.67(12) 9 9 ?
In1 Sb5 Ca4 86.63(19) . 9 ?
Ca1 Sb5 Ca4 137.01(6) 16 9 ?
Ca1 Sb5 Ca4 70.86(10) 15 9 ?
Ca1 Sb5 Ca4 70.86(10) 2 9 ?
Ca1 Sb5 Ca4 137.01(6) . 9 ?
In1 Sb5 Ca4 86.63(19) 9 . ?
In1 Sb5 Ca4 13.67(12) . . ?
Ca1 Sb5 Ca4 70.86(10) 16 . ?
Ca1 Sb5 Ca4 137.01(6) 15 . ?
Ca1 Sb5 Ca4 137.01(6) 2 . ?
Ca1 Sb5 Ca4 70.86(10) . . ?
Ca4 Sb5 Ca4 100.3(3) 9 . ?
In1 Sb5 Ca3 61.44(5) 9 1_545 ?
In1 Sb5 Ca3 61.44(5) . 1_545 ?
Ca1 Sb5 Ca3 70.32(5) 16 1_545 ?
Ca1 Sb5 Ca3 135.34(4) 15 1_545 ?
Ca1 Sb5 Ca3 70.32(5) 2 1_545 ?
Ca1 Sb5 Ca3 135.34(4) . 1_545 ?
Ca4 Sb5 Ca3 67.60(7) 9 1_545 ?
Ca4 Sb5 Ca3 67.60(7) . 1_545 ?
In1 Sb5 Ca3 61.44(5) 9 9_565 ?
In1 Sb5 Ca3 61.44(5) . 9_565 ?
Ca1 Sb5 Ca3 135.34(4) 16 9_565 ?
Ca1 Sb5 Ca3 70.32(5) 15 9_565 ?
Ca1 Sb5 Ca3 135.34(4) 2 9_565 ?
Ca1 Sb5 Ca3 70.32(5) . 9_565 ?
Ca4 Sb5 Ca3 67.60(7) 9 9_565 ?
Ca4 Sb5 Ca3 67.60(7) . 9_565 ?
Ca3 Sb5 Ca3 107.02(9) 1_545 9_565 ?
In1 Sb5 Ca6 143.52(9) 9 . ?
In1 Sb5 Ca6 143.52(9) . . ?
Ca1 Sb5 Ca6 71.64(4) 16 . ?
Ca1 Sb5 Ca6 71.64(4) 15 . ?
Ca1 Sb5 Ca6 71.64(4) 2 . ?
Ca1 Sb5 Ca6 71.64(4) . . ?
Ca4 Sb5 Ca6 129.85(13) 9 . ?
Ca4 Sb5 Ca6 129.85(13) . . ?
Ca3 Sb5 Ca6 126.49(4) 1_545 . ?
Ca3 Sb5 Ca6 126.49(4) 9_565 . ?
Ca1 Sb6 Ca1 96.30(2) . 12_666 ?
Ca1 Sb6 Ca1 96.30(2) . 11_566 ?
Ca1 Sb6 Ca1 141.29(7) 12_666 11_566 ?
Ca1 Sb6 Ca1 141.30(7) . 2_565 ?
Ca1 Sb6 Ca1 96.30(2) 12_666 2_565 ?
Ca1 Sb6 Ca1 96.30(2) 11_566 2_565 ?
Ca1 Sb6 Ca2 71.50(5) . . ?
Ca1 Sb6 Ca2 73.29(5) 12_666 . ?
Ca1 Sb6 Ca2 76.38(5) 11_566 . ?
Ca1 Sb6 Ca2 147.18(5) 2_565 . ?
Ca1 Sb6 Ca2 73.29(5) . 11_566 ?
Ca1 Sb6 Ca2 147.18(5) 12_666 11_566 ?
Ca1 Sb6 Ca2 71.50(5) 11_566 11_566 ?
Ca1 Sb6 Ca2 76.38(5) 2_565 11_566 ?
Ca2 Sb6 Ca2 128.53(5) . 11_566 ?
Ca1 Sb6 Ca2 147.18(5) . 2_565 ?
Ca1 Sb6 Ca2 76.38(5) 12_666 2_565 ?
Ca1 Sb6 Ca2 73.29(5) 11_566 2_565 ?
Ca1 Sb6 Ca2 71.50(5) 2_565 2_565 ?
Ca2 Sb6 Ca2 75.78(7) . 2_565 ?
Ca2 Sb6 Ca2 128.53(5) 11_566 2_565 ?
Ca1 Sb6 Ca2 76.38(5) . 12_666 ?
Ca1 Sb6 Ca2 71.50(5) 12_666 12_666 ?
Ca1 Sb6 Ca2 147.18(5) 11_566 12_666 ?
Ca1 Sb6 Ca2 73.29(5) 2_565 12_666 ?
Ca2 Sb6 Ca2 128.53(5) . 12_666 ?
Ca2 Sb6 Ca2 75.78(7) 11_566 12_666 ?
Ca2 Sb6 Ca2 128.53(5) 2_565 12_666 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ca1 Sb6 3.137(2) . ?
Ca1 Sb5 3.166(2) . ?
Ca1 Sb2B 3.317(10) 11_566 ?
Ca1 Sb1 3.387(2) . ?
Ca1 Sb3B 3.409(3) . ?
Ca1 Sb1 3.445(2) 11_566 ?
Ca1 Sb3A 3.469(2) . ?
Ca1 Sb2A 3.536(5) 11_566 ?
Ca1 Sb2A 3.592(7) . ?
Ca1 Ca2 3.693(3) . ?
Ca1 Sb2B 3.759(15) . ?
Ca1 Ca2 3.773(3) 11_566 ?
Ca2 Sb1 3.141(2) . ?
Ca2 Sb3A 3.146(4) 3 ?
Ca2 Sb3B 3.181(8) 11_566 ?
Ca2 Sb6 3.184(2) . ?
Ca2 Sb2A 3.187(4) 11_566 ?
Ca2 Sb3A 3.218(4) 11_566 ?
Ca2 Sb2B 3.230(8) 11_566 ?
Ca2 Sb4 3.368(2) 11_566 ?
Ca2 Ca5 3.463(3) 11_566 ?
Ca2 In2 3.494(15) 11_566 ?
Ca2 Sb3B 3.533(5) 3 ?
Ca2 Ca2 3.567(4) 10_556 ?
Ca3 Sb3A 3.021(4) 7_565 ?
Ca3 Sb3A 3.021(4) 9_565 ?
Ca3 Sb3B 3.160(9) 7_565 ?
Ca3 Sb3B 3.160(9) 9_565 ?
Ca3 Sb4 3.265(5) . ?
Ca3 In1 3.482(5) 9_565 ?
Ca3 In1 3.482(5) 1_565 ?
Ca3 Sb1 3.541(2) 12_666 ?
Ca3 Sb1 3.541(2) 3_554 ?
Ca3 Sb5 3.800(4) 9_565 ?
Ca3 Sb5 3.800(4) 1_565 ?
Ca3 Ca1 4.045(2) 16_565 ?
Ca4 In1 1.037(11) . ?
Ca4 Sb3B 2.498(6) . ?
Ca4 Sb3B 2.498(6) 7 ?
Ca4 Ca5 2.57(2) . ?
Ca4 Sb3A 2.933(3) 7 ?
Ca4 Sb3A 2.933(3) . ?
Ca4 Sb5 3.527(10) 9 ?
Ca4 Sb5 3.527(10) . ?
Ca4 In2 3.62(8) . ?
Ca4 Sb2A 3.729(11) 10 ?
Ca4 Sb2A 3.729(11) . ?
Ca4 Ca1 3.891(3) 10 ?
Ca5 In2 1.05(8) . ?
Ca5 Sb2A 2.868(8) 10 ?
Ca5 Sb2A 2.868(8) . ?
Ca5 Sb2B 3.071(17) 10 ?
Ca5 Sb2B 3.071(17) . ?
Ca5 Sb3B 3.284(12) . ?
Ca5 Sb3B 3.284(12) 7 ?
Ca5 Ca2 3.463(3) 6 ?
Ca5 Ca2 3.463(3) 12_666 ?
Ca5 Ca2 3.463(3) 3_554 ?
Ca5 Ca2 3.463(3) 13_665 ?
Ca6 Sb2B 3.161(18) 12_656 ?
Ca6 Sb2B 3.161(18) 11_566 ?
Ca6 In2 3.28(5) 11_566 ?
Ca6 In2 3.28(5) 3_545 ?
Ca6 Sb4 3.280(3) 11_566 ?
Ca6 Sb4 3.280(3) 3_545 ?
Ca6 Sb2A 3.352(8) 12_656 ?
Ca6 Sb2A 3.352(8) 11_566 ?
Ca6 Sb1 3.7578(13) . ?
Ca6 Sb1 3.7578(13) 2 ?
Ca6 Sb5 3.823(5) . ?
Ca6 Ca5 4.033(13) 3_545 ?
In1 Sb5 2.811(3) 9 ?
In1 Sb5 2.811(3) . ?
In1 Sb3B 2.852(7) . ?
In1 Sb3B 2.852(7) 7 ?
In1 Sb3A 3.213(4) 7 ?
In1 Sb3A 3.213(4) . ?
In1 In1 3.342(11) 9 ?
In1 Ca3 3.482(5) 9_565 ?
In1 Ca3 3.482(5) 1_545 ?
In1 Ca1 3.890(2) 16 ?
In2 Sb4 2.98(6) . ?
In2 Sb4 2.98(6) 9_665 ?
In2 Sb2A 3.11(3) 10 ?
In2 Sb2A 3.11(3) . ?
In2 Sb2B 3.23(3) 10 ?
In2 Sb2B 3.23(3) . ?
In2 Ca6 3.28(5) 11_666 ?
In2 Ca6 3.28(5) 3_554 ?
In2 Ca2 3.494(15) 3_554 ?
In2 Ca2 3.494(15) 13_665 ?
In2 Ca2 3.494(15) 6 ?
Sb1 Sb2B 2.89(2) . ?
Sb1 Sb2A 2.955(9) . ?
Sb1 Ca2 3.141(2) 16 ?
Sb1 Ca1 3.387(2) 16 ?
Sb1 Ca1 3.445(2) 12_666 ?
Sb1 Ca1 3.445(2) 6 ?
Sb1 Ca3 3.541(2) 11_566 ?
Sb2A Ca2 3.187(4) 6 ?
Sb2A Ca2 3.187(4) 12_666 ?
Sb2A Ca6 3.352(8) 11_666 ?
Sb2A Ca1 3.536(5) 12_666 ?
Sb2A Ca1 3.536(5) 6 ?
Sb2A Ca1 3.592(7) 16 ?
Sb2B Ca6 3.161(18) 11_666 ?
Sb2B Ca2 3.230(8) 6 ?
Sb2B Ca2 3.230(8) 12_666 ?
Sb2B Ca1 3.317(10) 6 ?
Sb2B Ca1 3.317(10) 12_666 ?
Sb2B Ca1 3.759(15) 16 ?
Sb3A Ca3 3.021(4) 9_565 ?
Sb3A Ca2 3.146(4) 4_454 ?
Sb3A Ca2 3.146(4) 11_566 ?
Sb3A Ca2 3.218(4) 12_666 ?
Sb3A Ca2 3.218(4) 3_554 ?
Sb3A Ca1 3.469(2) 10 ?
Sb3B Ca3 3.160(9) 9_565 ?
Sb3B Ca2 3.181(8) 12_666 ?
Sb3B Ca2 3.181(8) 3_554 ?
Sb3B Ca1 3.409(3) 10 ?
Sb3B Ca2 3.533(5) 4_454 ?
Sb3B Ca2 3.533(5) 11_566 ?
Sb4 In2 2.98(6) 9_665 ?
Sb4 Ca6 3.280(3) 11_666 ?
Sb4 Ca6 3.280(3) 3_554 ?
Sb4 Ca2 3.368(2) 5 ?
Sb4 Ca2 3.368(2) 14_665 ?
Sb4 Ca2 3.368(2) 3_554 ?
Sb4 Ca2 3.368(2) 12_666 ?
Sb4 Ca5 3.797(13) 9_665 ?
Sb5 In1 2.811(3) 9 ?
Sb5 Ca1 3.166(2) 16 ?
Sb5 Ca1 3.166(2) 15 ?
Sb5 Ca1 3.166(2) 2 ?
Sb5 Ca4 3.527(10) 9 ?
Sb5 Ca3 3.800(4) 1_545 ?
Sb5 Ca3 3.800(4) 9_565 ?
Sb6 Ca1 3.137(2) 12_666 ?
Sb6 Ca1 3.137(2) 11_566 ?
Sb6 Ca1 3.137(2) 2_565 ?
Sb6 Ca2 3.184(2) 11_566 ?
Sb6 Ca2 3.184(2) 2_565 ?
Sb6 Ca2 3.184(2) 12_666 ?
