#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/73/2017325.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_2017325
loop_
_publ_author_name
'Rauscher, Japheth F.'
'Condron, Cathie L.'
'Beault, Tanya'
'Kauzlarich, Susan M.'
'Jensen, Newell'
'Klavins, Peter'
'MaQuilon, Samuel'
'Fisk, Zachary'
'Olmstead, Marilyn M.'
_publ_section_title
;
 Flux growth and structure of two compounds with the EuIn₂P₂
 structure type, AIn₂P₂ (A = Ca and Sr), and a new
 structure type, BaIn₂P₂
;
_journal_coeditor_code           FA3198
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i69
_journal_page_last               i73
_journal_paper_doi               10.1107/S0108270109035987
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'Ba In2 P2'
_chemical_formula_moiety         '2(In P), Ba'
_chemical_formula_sum            'Ba In2 P2'
_chemical_formula_weight         428.92
_chemical_name_common            BaIn2P2
_chemical_name_systematic
;
barium indium phosphide
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.326(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.9652(8)
_cell_length_b                   4.1789(3)
_cell_length_c                   12.9834(10)
_cell_measurement_reflns_used    1863
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      30.556
_cell_measurement_theta_min      2.702
_cell_volume                     538.34(7)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0346
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7899
_diffrn_reflns_theta_full        29.99
_diffrn_reflns_theta_max         29.99
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    16.146
_exptl_absorpt_correction_T_max  0.3244
_exptl_absorpt_correction_T_min  0.1187
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.292
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       whisker
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.557
_refine_diff_density_min         -2.476
_refine_ls_extinction_coef       0.0039(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_matrix_type           full
_refine_ls_number_parameters     62
_refine_ls_number_reflns         1753
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0493
_refine_ls_R_factor_gt           0.0383
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0566P)²+1.6205P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0887
_refine_ls_wR_factor_ref         0.0931
_reflns_number_gt                1452
_reflns_number_total             1753
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            fa3198.cif
_cod_data_source_block           BaIn2P2
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               2017325
_cod_database_fobs_code          2017325
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
loop_
_atom_site_type_symbol
_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_disorder_assembly
_atom_site_disorder_group
Ba Ba1 0.55267(6) 0.2500 0.84462(5) 0.00507(16) Uani d S 1 . .
Ba Ba2 0.15873(6) -0.7500 0.41054(5) 0.00517(16) Uani d S 1 . .
In In1 0.44833(7) -0.2500 0.59588(5) 0.00439(17) Uani d S 1 . .
In In2 0.95400(7) 0.2500 0.83627(6) 0.00499(17) Uani d S 1 . .
In In3 0.81312(7) -0.2500 1.03287(6) 0.00490(17) Uani d S 1 . .
In In4 0.22825(7) -0.2500 0.71717(5) 0.00386(17) Uani d S 1 . .
P P1 0.7963(3) -0.2500 0.8329(2) 0.0047(5) Uani d S 1 . .
P P2 0.6090(3) 0.2500 0.6055(2) 0.0047(5) Uani d S 1 . .
P P3 0.0781(3) -0.7500 0.6624(2) 0.0057(5) Uani d S 1 . .
P P4 0.3241(3) -0.2500 0.9114(2) 0.0054(5) Uani d S 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
P P 0.1023 0.0942 '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'
Ba Ba -0.3244 2.2819 '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
_geom_angle_publ_flag
P2 Ba1 P1 . 1_565 75.72(6) ?
P2 Ba1 P1 . . 75.72(6) ?
P1 Ba1 P1 1_565 . 80.99(7) ?
P2 Ba1 P4 . . 116.48(6) ?
P1 Ba1 P4 1_565 . 167.36(7) ?
P1 Ba1 P4 . . 98.34(5) ?
P2 Ba1 P4 . 1_565 116.48(6) ?
P1 Ba1 P4 1_565 1_565 98.34(5) ?
P1 Ba1 P4 . 1_565 167.36(7) ?
P4 Ba1 P4 . 1_565 79.52(6) ?
P2 Ba1 P4 . 3_657 148.14(7) ?
P1 Ba1 P4 1_565 3_657 80.20(6) ?
P1 Ba1 P4 . 3_657 80.20(6) ?
P4 Ba1 P4 . 3_657 87.23(6) ?
P4 Ba1 P4 1_565 3_657 87.23(6) ?
P2 Ba1 In1 . . 41.95(3) ?
P1 Ba1 In1 1_565 . 116.89(5) ?
P1 Ba1 In1 . . 75.97(5) ?
P4 Ba1 In1 . . 74.84(5) ?
P4 Ba1 In1 1_565 . 115.01(5) ?
P4 Ba1 In1 3_657 . 147.484(9) ?
P2 Ba1 In1 . 1_565 41.95(3) ?
P1 Ba1 In1 1_565 1_565 75.97(5) ?
P1 Ba1 In1 . 1_565 116.89(5) ?
P4 Ba1 In1 . 1_565 115.01(5) ?
P4 Ba1 In1 1_565 1_565 74.84(5) ?
P4 Ba1 In1 3_657 1_565 147.484(9) ?
In1 Ba1 In1 . 1_565 64.689(16) ?
P2 Ba1 In3 . 1_565 115.54(4) ?
P1 Ba1 In3 1_565 1_565 40.33(5) ?
P1 Ba1 In3 . 1_565 85.31(4) ?
P4 Ba1 In3 . 1_565 127.07(5) ?
P4 Ba1 In3 1_565 1_565 86.13(4) ?
P4 Ba1 In3 3_657 1_565 41.07(3) ?
In1 Ba1 In3 . 1_565 153.57(2) ?
In1 Ba1 In3 1_565 1_565 109.556(12) ?
P2 Ba1 In3 . . 115.54(4) ?
P1 Ba1 In3 1_565 . 85.31(4) ?
P1 Ba1 In3 . . 40.33(5) ?
P4 Ba1 In3 . . 86.13(4) ?
P4 Ba1 In3 1_565 . 127.07(5) ?
P4 Ba1 In3 3_657 . 41.07(3) ?
In1 Ba1 In3 . . 109.556(12) ?
In1 Ba1 In3 1_565 . 153.57(2) ?
In3 Ba1 In3 1_565 . 63.206(15) ?
P2 Ba1 In2 . . 73.09(5) ?
P1 Ba1 In2 1_565 . 40.54(3) ?
P1 Ba1 In2 . . 40.54(3) ?
P4 Ba1 In2 . . 136.78(4) ?
P4 Ba1 In2 1_565 . 136.78(4) ?
P4 Ba1 In2 3_657 . 75.05(5) ?
In1 Ba1 In2 . . 99.630(18) ?
In1 Ba1 In2 1_565 . 99.630(18) ?
In3 Ba1 In2 1_565 . 54.733(15) ?
In3 Ba1 In2 . . 54.733(15) ?
P2 Ba1 In4 . . 79.06(4) ?
P1 Ba1 In4 1_565 . 152.69(5) ?
P1 Ba1 In4 . . 102.81(4) ?
P4 Ba1 In4 . . 39.85(5) ?
P4 Ba1 In4 1_565 . 83.63(4) ?
P4 Ba1 In4 3_657 . 127.08(4) ?
In1 Ba1 In4 . . 41.291(15) ?
In1 Ba1 In4 1_565 . 78.346(16) ?
In3 Ba1 In4 1_565 . 164.93(2) ?
In3 Ba1 In4 . . 115.309(10) ?
In2 Ba1 In4 . . 138.201(15) ?
P2 Ba2 P2 3_656 3_646 83.45(7) ?
P2 Ba2 P3 3_656 3_536 159.23(7) ?
P2 Ba2 P3 3_646 3_536 94.20(5) ?
P2 Ba2 P3 3_656 3_546 94.20(5) ?
P2 Ba2 P3 3_646 3_546 159.23(7) ?
P3 Ba2 P3 3_536 3_546 80.70(7) ?
P2 Ba2 P1 3_656 3_646 76.43(6) ?
P2 Ba2 P1 3_646 3_646 76.43(6) ?
P3 Ba2 P1 3_536 3_646 82.95(6) ?
P3 Ba2 P1 3_546 3_646 82.95(6) ?
P2 Ba2 P3 3_656 . 107.57(6) ?
P2 Ba2 P3 3_646 . 107.57(6) ?
P3 Ba2 P3 3_536 . 92.85(6) ?
P3 Ba2 P3 3_546 . 92.85(6) ?
P1 Ba2 P3 3_646 . 174.47(7) ?
P2 Ba2 In2 3_656 3_646 117.38(5) ?
P2 Ba2 In2 3_646 3_646 75.35(5) ?
P3 Ba2 In2 3_536 3_646 42.74(5) ?
P3 Ba2 In2 3_546 3_646 87.65(4) ?
P1 Ba2 In2 3_646 3_646 41.64(3) ?
P3 Ba2 In2 . 3_646 134.90(3) ?
P2 Ba2 In2 3_656 3_656 75.35(5) ?
P2 Ba2 In2 3_646 3_656 117.38(5) ?
P3 Ba2 In2 3_536 3_656 87.65(4) ?
P3 Ba2 In2 3_546 3_656 42.74(5) ?
P1 Ba2 In2 3_646 3_656 41.64(3) ?
P3 Ba2 In2 . 3_656 134.90(3) ?
In2 Ba2 In2 3_646 3_656 64.747(16) ?
P2 Ba2 In1 3_656 3_646 41.87(3) ?
P2 Ba2 In1 3_646 3_646 41.87(3) ?
P3 Ba2 In1 3_536 3_646 134.24(4) ?
P3 Ba2 In1 3_546 3_646 134.24(4) ?
P1 Ba2 In1 3_646 3_646 75.53(5) ?
P3 Ba2 In1 . 3_646 110.00(5) ?
In2 Ba2 In1 3_646 3_646 101.204(18) ?
In2 Ba2 In1 3_656 3_646 101.204(18) ?
P2 Ba2 In4 3_656 3_546 130.70(4) ?
P2 Ba2 In4 3_646 3_546 130.70(4) ?
P3 Ba2 In4 3_536 3_546 40.37(3) ?
P3 Ba2 In4 3_546 3_546 40.37(3) ?
P1 Ba2 In4 3_646 3_546 79.22(5) ?
P3 Ba2 In4 . 3_546 95.25(5) ?
In2 Ba2 In4 3_646 3_546 58.244(15) ?
In2 Ba2 In4 3_656 3_546 58.244(15) ?
In1 Ba2 In4 3_646 3_546 154.75(2) ?
P2 Ba2 Ba2 3_656 1_565 48.27(3) ?
P2 Ba2 Ba2 3_646 1_565 131.73(3) ?
P3 Ba2 Ba2 3_536 1_565 130.35(3) ?
P3 Ba2 Ba2 3_546 1_565 49.65(3) ?
P1 Ba2 Ba2 3_646 1_565 90.0 ?
P3 Ba2 Ba2 . 1_565 90.0 ?
In2 Ba2 Ba2 3_646 1_565 122.373(8) ?
In2 Ba2 Ba2 3_656 1_565 57.627(8) ?
In1 Ba2 Ba2 3_646 1_565 90.0 ?
In4 Ba2 Ba2 3_546 1_565 90.0 ?
P2 Ba2 Ba2 3_656 1_545 131.73(3) ?
P2 Ba2 Ba2 3_646 1_545 48.27(3) ?
P3 Ba2 Ba2 3_536 1_545 49.65(3) ?
P3 Ba2 Ba2 3_546 1_545 130.35(3) ?
P1 Ba2 Ba2 3_646 1_545 90.0 ?
P3 Ba2 Ba2 . 1_545 90.0 ?
In2 Ba2 Ba2 3_646 1_545 57.627(8) ?
In2 Ba2 Ba2 3_656 1_545 122.373(8) ?
In1 Ba2 Ba2 3_646 1_545 90.0 ?
In4 Ba2 Ba2 3_546 1_545 90.0 ?
Ba2 Ba2 Ba2 1_565 1_545 180.00(3) ?
P2 In1 P2 3_656 . 97.04(7) ?
P2 In1 P2 3_656 1_545 97.04(7) ?
P2 In1 P2 . 1_545 105.31(9) ?
P2 In1 In4 3_656 . 116.64(7) ?
P2 In1 In4 . . 118.43(6) ?
P2 In1 In4 1_545 . 118.43(6) ?
P2 In1 Ba1 3_656 . 147.201(13) ?
P2 In1 Ba1 . . 54.64(6) ?
P2 In1 Ba1 1_545 . 105.78(6) ?
In4 In1 Ba1 . . 72.48(2) ?
P2 In1 Ba1 3_656 1_545 147.201(13) ?
P2 In1 Ba1 . 1_545 105.78(6) ?
P2 In1 Ba1 1_545 1_545 54.64(6) ?
In4 In1 Ba1 . 1_545 72.48(2) ?
Ba1 In1 Ba1 . 1_545 64.689(16) ?
P2 In1 Ba2 3_656 3_646 95.98(6) ?
P2 In1 Ba2 . 3_646 52.87(5) ?
P2 In1 Ba2 1_545 3_646 52.87(5) ?
In4 In1 Ba2 . 3_646 147.38(3) ?
Ba1 In1 Ba2 . 3_646 80.095(17) ?
Ba1 In1 Ba2 1_545 3_646 80.095(17) ?
P1 In2 P1 . 1_565 106.24(10) ?
P1 In2 P3 . 1_665 108.08(7) ?
P1 In2 P3 1_565 1_665 108.08(7) ?
P1 In2 In3 . 3_757 118.88(6) ?
P1 In2 In3 1_565 3_757 118.88(6) ?
P3 In2 In3 1_665 3_757 95.28(7) ?
P1 In2 Ba2 . 3_646 55.31(6) ?
P1 In2 Ba2 1_565 3_646 106.71(6) ?
P3 In2 Ba2 1_665 3_646 55.02(5) ?
In3 In2 Ba2 3_757 3_646 132.10(2) ?
P1 In2 Ba2 . 3_656 106.71(6) ?
P1 In2 Ba2 1_565 3_656 55.31(6) ?
P3 In2 Ba2 1_665 3_656 55.02(5) ?
In3 In2 Ba2 3_757 3_656 132.10(2) ?
Ba2 In2 Ba2 3_646 3_656 64.747(16) ?
P1 In2 Ba1 . . 53.18(5) ?
P1 In2 Ba1 1_565 . 53.18(5) ?
P3 In2 Ba1 1_665 . 124.29(6) ?
In3 In2 Ba1 3_757 . 140.43(3) ?
Ba2 In2 Ba1 3_646 . 79.071(17) ?
Ba2 In2 Ba1 3_656 . 79.071(17) ?
P1 In3 P4 . 3_647 106.80(7) ?
P1 In3 P4 . 3_657 106.80(7) ?
P4 In3 P4 3_647 3_657 104.93(10) ?
P1 In3 In2 . 3_757 126.40(7) ?
P4 In3 In2 3_647 3_757 105.08(6) ?
P4 In3 In2 3_657 3_757 105.08(6) ?
P1 In3 Ba1 . 1_545 53.62(5) ?
P4 In3 Ba1 3_647 1_545 55.12(6) ?
P4 In3 Ba1 3_657 1_545 105.02(6) ?
In2 In3 Ba1 3_757 1_545 147.557(10) ?
P1 In3 Ba1 . . 53.62(5) ?
P4 In3 Ba1 3_647 . 105.02(6) ?
P4 In3 Ba1 3_657 . 55.12(6) ?
In2 In3 Ba1 3_757 . 147.557(10) ?
Ba1 In3 Ba1 1_545 . 63.206(15) ?
P4 In4 P3 . . 114.16(7) ?
P4 In4 P3 . 1_565 114.16(7) ?
P3 In4 P3 . 1_565 105.23(10) ?
P4 In4 In1 . . 107.81(6) ?
P3 In4 In1 . . 107.57(6) ?
P3 In4 In1 1_565 . 107.57(6) ?
P4 In4 Ba2 . 3_546 130.06(6) ?
P3 In4 Ba2 . 3_546 52.65(5) ?
P3 In4 Ba2 1_565 3_546 52.65(5) ?
In1 In4 Ba2 . 3_546 122.13(3) ?
P4 In4 Ba1 . . 53.28(5) ?
P3 In4 Ba1 . . 158.24(5) ?
P3 In4 Ba1 1_565 . 96.48(5) ?
In1 In4 Ba1 . . 66.23(2) ?
Ba2 In4 Ba1 3_546 . 148.862(8) ?
P4 In4 Ba1 . 1_545 53.28(5) ?
P3 In4 Ba1 . 1_545 96.48(5) ?
P3 In4 Ba1 1_565 1_545 158.24(5) ?
In1 In4 Ba1 . 1_545 66.23(2) ?
Ba2 In4 Ba1 3_546 1_545 148.862(8) ?
Ba1 In4 Ba1 . 1_545 61.784(14) ?
In3 P1 In2 . . 90.01(7) ?
In3 P1 In2 . 1_545 90.01(7) ?
In2 P1 In2 . 1_545 106.24(10) ?
In3 P1 Ba1 . 1_545 86.05(7) ?
In2 P1 Ba1 . 1_545 166.90(8) ?
In2 P1 Ba1 1_545 1_545 86.28(2) ?
In3 P1 Ba1 . . 86.05(7) ?
In2 P1 Ba1 . . 86.28(2) ?
In2 P1 Ba1 1_545 . 166.90(8) ?
Ba1 P1 Ba1 1_545 . 80.99(6) ?
In3 P1 Ba2 . 3_646 168.38(11) ?
In2 P1 Ba2 . 3_646 83.04(7) ?
In2 P1 Ba2 1_545 3_646 83.04(7) ?
Ba1 P1 Ba2 1_545 3_646 102.71(6) ?
Ba1 P1 Ba2 . 3_646 102.71(6) ?
In1 P2 In1 3_656 . 82.96(7) ?
In1 P2 In1 3_656 1_565 82.96(7) ?
In1 P2 In1 . 1_565 105.31(9) ?
In1 P2 Ba2 3_656 3_656 91.59(7) ?
In1 P2 Ba2 . 3_656 167.33(9) ?
In1 P2 Ba2 1_565 3_656 85.26(2) ?
In1 P2 Ba2 3_656 3_646 91.59(7) ?
In1 P2 Ba2 . 3_646 85.26(2) ?
In1 P2 Ba2 1_565 3_646 167.33(9) ?
Ba2 P2 Ba2 3_656 3_646 83.45(7) ?
In1 P2 Ba1 3_656 . 157.44(11) ?
In1 P2 Ba1 . . 83.41(7) ?
In1 P2 Ba1 1_565 . 83.41(7) ?
Ba2 P2 Ba1 3_656 . 105.10(6) ?
Ba2 P2 Ba1 3_646 . 105.10(6) ?
In4 P3 In4 . 1_545 105.23(10) ?
In4 P3 In2 . 1_445 93.88(7) ?
In4 P3 In2 1_545 1_445 93.88(7) ?
In4 P3 Ba2 . 3_536 167.46(8) ?
In4 P3 Ba2 1_545 3_536 86.98(2) ?
In2 P3 Ba2 1_445 3_536 82.23(6) ?
In4 P3 Ba2 . 3_546 86.98(2) ?
In4 P3 Ba2 1_545 3_546 167.46(8) ?
In2 P3 Ba2 1_445 3_546 82.23(6) ?
Ba2 P3 Ba2 3_536 3_546 80.70(7) ?
In4 P3 Ba2 . . 94.58(7) ?
In4 P3 Ba2 1_545 . 94.58(7) ?
In2 P3 Ba2 1_445 . 166.04(11) ?
Ba2 P3 Ba2 3_536 . 87.15(6) ?
Ba2 P3 Ba2 3_546 . 87.15(6) ?
In4 P4 In3 . 3_647 96.47(7) ?
In4 P4 In3 . 3_657 96.47(7) ?
In3 P4 In3 3_647 3_657 104.93(10) ?
In4 P4 Ba1 . . 86.87(7) ?
In3 P4 Ba1 3_647 . 166.52(8) ?
In3 P4 Ba1 3_657 . 87.60(2) ?
In4 P4 Ba1 . 1_545 86.87(7) ?
In3 P4 Ba1 3_647 1_545 87.60(2) ?
In3 P4 Ba1 3_657 1_545 166.52(8) ?
Ba1 P4 Ba1 . 1_545 79.52(6) ?
In4 P4 Ba1 . 3_657 179.53(11) ?
In3 P4 Ba1 3_647 3_657 83.81(7) ?
In3 P4 Ba1 3_657 3_657 83.81(7) ?
Ba1 P4 Ba1 . 3_657 92.77(6) ?
Ba1 P4 Ba1 1_545 3_657 92.77(6) ?
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
Ba1 P2 . 3.206(3) y
Ba1 P1 1_565 3.218(2) ?
Ba1 P1 . 3.218(2) y
Ba1 P4 . 3.267(2) y
Ba1 P4 1_565 3.267(2) ?
Ba1 P4 3_657 3.290(3) y
Ba1 In1 . 3.9055(8) ?
Ba1 In1 1_565 3.9055(8) ?
Ba1 In3 1_565 3.9873(8) ?
Ba1 In3 . 3.9873(8) ?
Ba1 In2 . 4.0108(10) ?
Ba1 In4 . 4.0697(8) ?
Ba2 P2 3_656 3.139(2) y
Ba2 P2 3_646 3.139(2) ?
Ba2 P3 3_536 3.227(2) y
Ba2 P3 3_546 3.227(2) ?
Ba2 P1 3_646 3.233(3) y
Ba2 P3 . 3.438(3) y
Ba2 In2 3_646 3.9024(8) ?
Ba2 In2 3_656 3.9024(8) ?
Ba2 In1 3_646 3.9244(10) ?
Ba2 In4 3_546 4.0539(10) ?
Ba2 Ba2 1_565 4.1789(3) ?
Ba2 Ba2 1_545 4.1789(3) ?
In1 P2 3_656 2.624(3) y
In1 P2 . 2.6283(17) y
In1 P2 1_545 2.6283(17) ?
In1 In4 . 2.8161(10) y
In1 Ba1 1_545 3.9055(8) ?
In1 Ba2 3_646 3.9244(10) ?
In2 P1 . 2.6122(17) y
In2 P1 1_565 2.6122(17) ?
In2 P3 1_665 2.673(3) y
In2 In3 3_757 2.7460(10) y
In2 Ba2 3_646 3.9024(8) ?
In2 Ba2 3_656 3.9024(8) ?
In3 P1 . 2.587(3) y
In3 P4 3_647 2.6350(17) y
In3 P4 3_657 2.6350(17) ?
In3 In2 3_757 2.7460(10) n
In3 Ba1 1_545 3.9873(8) ?
In4 P4 . 2.612(3) y
In4 P3 . 2.6296(18) y
In4 P3 1_565 2.6296(17) ?
In4 Ba2 3_546 4.0539(10) ?
In4 Ba1 1_545 4.0697(8) ?
P1 In2 1_545 2.6122(17) ?
P1 Ba1 1_545 3.218(2) ?
P1 Ba2 3_646 3.233(3) ?
P2 In1 3_656 2.624(3) ?
P2 In1 1_565 2.6283(17) ?
P2 Ba2 3_656 3.139(2) ?
P2 Ba2 3_646 3.139(2) ?
P3 In4 1_545 2.6296(17) ?
P3 In2 1_445 2.673(3) ?
P3 Ba2 3_536 3.227(2) ?
P3 Ba2 3_546 3.227(2) ?
P4 In3 3_647 2.6350(17) ?
P4 In3 3_657 2.6350(17) ?
P4 Ba1 1_545 3.267(2) ?
P4 Ba1 3_657 3.290(3) ?
