#------------------------------------------------------------------------------
#$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178377 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/12/4001252.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_4001252
loop_
_publ_author_name
'Mathieu, Josiah'
'Achey, Randall'
'Park, Ju-Hyun'
'Purcell, Kenneth M.'
'Tozer, Stanley W.'
'Latturner, Susan E.'
_publ_section_title
;
 Flux Growth and Electronic Properties of Ba2In5Pn5(Pn = P, As): Zintl
 Phases Exhibiting Metallic Behavior
;
_journal_issue                   17
_journal_name_full               'Chemistry of Materials'
_journal_page_first              5675
_journal_paper_doi               10.1021/cm8015353
_journal_volume                  20
_journal_year                    2008
_chemical_formula_sum            'Ba2 In5 P5'
_chemical_formula_weight         1003.63
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.257(3)
_cell_length_b                   4.1599(6)
_cell_length_c                   17.490(3)
_cell_measurement_reflns_used    16653
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      1.66
_cell_volume                     1255.6(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0523
_diffrn_reflns_av_sigmaI/netI    0.0273
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            16653
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    15.770
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'via SADABS (Bruker, 2000)'
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    5.309
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1728
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.126
_refine_diff_density_min         -1.493
_refine_diff_density_rms         0.343
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.196
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     73
_refine_ls_number_reflns         1770
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.196
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0376
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0231P)²+15.0436P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0690
_refine_ls_wR_factor_ref         0.0718
_reflns_number_gt                1542
_reflns_number_total             1770
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm8015353_si_002.cif
_cod_data_source_block           ba2in5p5
_cod_original_cell_volume        1255.5(3)
_cod_original_sg_symbol_H-M      Pnma
_cod_database_code               4001252
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ba1 Ba 0.01951(4) 0.2500 0.62099(4) 0.00949(14) Uani 1 2 d S
Ba2 Ba 0.04209(4) 0.2500 0.12983(4) 0.01340(15) Uani 1 2 d S
In1 In 0.15747(4) 0.2500 0.81018(4) 0.00990(17) Uani 1 2 d S
In2 In 0.31328(4) 0.2500 0.77710(4) 0.00948(16) Uani 1 2 d S
In3 In 0.17218(4) 0.2500 0.44118(4) 0.01026(17) Uani 1 2 d S
In4 In 0.33002(4) 0.2500 0.47180(4) 0.01032(17) Uani 1 2 d S
In5 In 0.28948(4) 0.2500 0.12583(4) 0.00870(16) Uani 1 2 d S
P1 P 0.10436(16) 0.2500 0.30864(16) 0.0086(5) Uani 1 2 d S
P2 P 0.38524(15) 0.2500 0.01133(15) 0.0079(5) Uani 1 2 d S
P3 P 0.39192(16) 0.2500 0.23537(15) 0.0088(5) Uani 1 2 d S
P4 P 0.58342(15) 0.2500 0.55889(15) 0.0090(5) Uani 1 2 d S
P5 P 0.30227(15) 0.2500 0.62529(16) 0.0083(5) Uani 1 2 d S
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
P1 Ba1 P1 80.28(6) 5_556 5_566
P1 Ba1 P3 119.14(7) 5_556 2_565
P1 Ba1 P3 70.48(6) 5_566 2_565
P1 Ba1 P3 70.48(6) 5_556 2
P1 Ba1 P3 119.14(7) 5_566 2
P3 Ba1 P3 79.13(6) 2_565 2
P1 Ba1 P2 98.43(5) 5_556 2
P1 Ba1 P2 165.06(7) 5_566 2
P3 Ba1 P2 121.92(7) 2_565 2
P3 Ba1 P2 73.68(6) 2 2
P1 Ba1 P2 165.06(7) 5_556 2_565
P1 Ba1 P2 98.43(5) 5_566 2_565
P3 Ba1 P2 73.68(6) 2_565 2_565
P3 Ba1 P2 121.92(7) 2 2_565
P2 Ba1 P2 78.94(6) 2 2_565
P1 Ba1 P2 78.51(6) 5_556 6_556
P1 Ba1 P2 78.51(6) 5_566 6_556
P3 Ba1 P2 139.82(3) 2_565 6_556
P3 Ba1 P2 139.82(3) 2 6_556
P2 Ba1 P2 86.63(6) 2 6_556
P2 Ba1 P2 86.63(6) 2_565 6_556
P1 Ba1 In5 153.61(5) 5_556 2_565
P1 Ba1 In5 102.00(4) 5_566 2_565
P3 Ba1 In5 41.51(5) 2_565 2_565
P3 Ba1 In5 86.03(4) 2 2_565
P2 Ba1 In5 85.82(4) 2 2_565
P2 Ba1 In5 41.31(5) 2_565 2_565
P2 Ba1 In5 127.85(4) 6_556 2_565
P1 Ba1 In5 102.00(4) 5_556 2
P1 Ba1 In5 153.61(5) 5_566 2
P3 Ba1 In5 86.03(4) 2_565 2
P3 Ba1 In5 41.51(5) 2 2
P2 Ba1 In5 41.31(5) 2 2
P2 Ba1 In5 85.82(4) 2_565 2
P2 Ba1 In5 127.85(4) 6_556 2
In5 Ba1 In5 64.486(19) 2_565 2
P1 Ba1 In2 40.25(3) 5_556 6_557
P1 Ba1 In2 40.25(3) 5_566 6_557
P3 Ba1 In2 98.29(5) 2_565 6_557
P3 Ba1 In2 98.29(5) 2 6_557
P2 Ba1 In2 135.37(4) 2 6_557
P2 Ba1 In2 135.37(4) 2_565 6_557
P2 Ba1 In2 71.57(5) 6_556 6_557
In5 Ba1 In2 138.270(17) 2_565 6_557
In5 Ba1 In2 138.270(17) 2 6_557
P1 Ba1 In3 39.77(5) 5_556 5_556
P1 Ba1 In3 83.83(4) 5_566 5_556
P3 Ba1 In3 150.76(5) 2_565 5_556
P3 Ba1 In3 102.67(4) 2 5_556
P2 Ba1 In3 85.79(4) 2 5_556
P2 Ba1 In3 125.35(5) 2_565 5_556
P2 Ba1 In3 39.96(3) 6_556 5_556
In5 Ba1 In3 165.69(2) 2_565 5_556
In5 Ba1 In3 114.948(14) 2 5_556
In2 Ba1 In3 52.469(17) 6_557 5_556
P1 Ba1 In3 83.83(4) 5_556 5_566
P1 Ba1 In3 39.77(5) 5_566 5_566
P3 Ba1 In3 102.67(4) 2_565 5_566
P3 Ba1 In3 150.76(5) 2 5_566
P2 Ba1 In3 125.35(5) 2 5_566
P2 Ba1 In3 85.79(4) 2_565 5_566
P2 Ba1 In3 39.96(3) 6_556 5_566
In5 Ba1 In3 114.948(14) 2_565 5_566
In5 Ba1 In3 165.69(2) 2 5_566
In2 Ba1 In3 52.469(17) 6_557 5_566
In3 Ba1 In3 61.703(17) 5_556 5_566
P4 Ba2 P4 79.61(6) 2_554 2_564
P4 Ba2 P1 125.29(5) 2_554 .
P4 Ba2 P1 125.29(5) 2_564 .
P4 Ba2 P4 76.56(6) 2_554 6_556
P4 Ba2 P4 76.56(6) 2_564 6_556
P1 Ba2 P4 148.84(7) . 6_556
P4 Ba2 P5 155.48(7) 2_554 2_564
P4 Ba2 P5 97.25(5) 2_564 2_564
P1 Ba2 P5 76.42(6) . 2_564
P4 Ba2 P5 79.06(6) 6_556 2_564
P4 Ba2 P5 97.25(5) 2_554 2_554
P4 Ba2 P5 155.48(7) 2_564 2_554
P1 Ba2 P5 76.42(6) . 2_554
P4 Ba2 P5 79.06(6) 6_556 2_554
P5 Ba2 P5 75.48(6) 2_564 2_554
P4 Ba2 P3 76.34(6) 2_554 6_556
P4 Ba2 P3 76.34(6) 2_564 6_556
P1 Ba2 P3 66.67(7) . 6_556
P4 Ba2 P3 144.49(7) 6_556 6_556
P5 Ba2 P3 126.90(5) 2_564 6_556
P5 Ba2 P3 126.90(5) 2_554 6_556
P4 Ba2 In4 39.96(3) 2_554 6_556
P4 Ba2 In4 39.96(3) 2_564 6_556
P1 Ba2 In4 134.87(5) . 6_556
P4 Ba2 In4 76.29(5) 6_556 6_556
P5 Ba2 In4 134.49(4) 2_564 6_556
P5 Ba2 In4 134.49(4) 2_554 6_556
P3 Ba2 In4 68.20(5) 6_556 6_556
P4 Ba2 In4 77.10(5) 2_554 2_554
P4 Ba2 In4 115.20(5) 2_564 2_554
P1 Ba2 In4 117.53(4) . 2_554
P4 Ba2 In4 39.47(3) 6_556 2_554
P5 Ba2 In4 82.49(4) 2_564 2_554
P5 Ba2 In4 41.31(5) 2_554 2_554
P3 Ba2 In4 148.337(15) 6_556 2_554
In4 Ba2 In4 100.93(2) 6_556 2_554
P4 Ba2 In4 115.20(5) 2_554 2_564
P4 Ba2 In4 77.10(5) 2_564 2_564
P1 Ba2 In4 117.53(4) . 2_564
P4 Ba2 In4 39.47(3) 6_556 2_564
P5 Ba2 In4 41.31(5) 2_564 2_564
P5 Ba2 In4 82.49(4) 2_554 2_564
P3 Ba2 In4 148.337(15) 6_556 2_564
In4 Ba2 In4 100.93(2) 6_556 2_564
In4 Ba2 In4 60.917(17) 2_554 2_564
P4 Ba2 Ba2 50.20(3) 2_554 1_545
P4 Ba2 Ba2 129.80(3) 2_564 1_545
P1 Ba2 Ba2 90.0 . 1_545
P4 Ba2 Ba2 90.0 6_556 1_545
P5 Ba2 Ba2 127.74(3) 2_564 1_545
P5 Ba2 Ba2 52.26(3) 2_554 1_545
P3 Ba2 Ba2 90.0 6_556 1_545
In4 Ba2 Ba2 90.0 6_556 1_545
In4 Ba2 Ba2 59.542(9) 2_554 1_545
In4 Ba2 Ba2 120.459(8) 2_564 1_545
P4 Ba2 Ba2 129.80(3) 2_554 1_565
P4 Ba2 Ba2 50.20(3) 2_564 1_565
P1 Ba2 Ba2 90.0 . 1_565
P4 Ba2 Ba2 90.0 6_556 1_565
P5 Ba2 Ba2 52.26(3) 2_564 1_565
P5 Ba2 Ba2 127.74(3) 2_554 1_565
P3 Ba2 Ba2 90.0 6_556 1_565
In4 Ba2 Ba2 90.0 6_556 1_565
In4 Ba2 Ba2 120.459(9) 2_554 1_565
In4 Ba2 Ba2 59.542(9) 2_564 1_565
Ba2 Ba2 Ba2 180.00(4) 1_545 1_565
P3 In1 P3 106.21(10) 2 2_565
P3 In1 P4 106.24(7) 2 6_557
P3 In1 P4 106.24(7) 2_565 6_557
P3 In1 In2 102.39(6) 2 .
P3 In1 In2 102.39(6) 2_565 .
P4 In1 In2 131.30(7) 6_557 .
P3 In1 Ba1 53.15(5) 2 .
P3 In1 Ba1 53.15(5) 2_565 .
P4 In1 Ba1 115.10(7) 6_557 .
In2 In1 Ba1 113.60(3) . .
P1 In2 P1 107.51(10) 2_565 2
P1 In2 P5 104.64(7) 2_565 .
P1 In2 P5 104.64(7) 2 .
P1 In2 In1 119.59(6) 2_565 .
P1 In2 In1 119.59(6) 2 .
P5 In2 In1 98.05(6) . .
P1 In2 Ba1 53.94(5) 2_565 6_657
P1 In2 Ba1 53.94(5) 2 6_657
P5 In2 Ba1 120.69(6) . 6_657
In1 In2 Ba1 141.26(3) . 6_657
P1 In3 P2 104.39(7) . 2_565
P1 In3 P2 104.39(7) . 2
P2 In3 P2 105.66(10) 2_565 2
P1 In3 In4 127.91(7) . .
P2 In3 In4 106.37(6) 2_565 .
P2 In3 In4 106.37(6) 2 .
P1 In3 Ba1 52.63(5) . 5_556
P2 In3 Ba1 103.01(6) 2_565 5_556
P2 In3 Ba1 53.69(6) 2 5_556
In4 In3 Ba1 148.427(11) . 5_556
P1 In3 Ba1 52.63(5) . 5_566
P2 In3 Ba1 53.69(6) 2_565 5_566
P2 In3 Ba1 103.01(6) 2 5_566
In4 In3 Ba1 148.427(11) . 5_566
Ba1 In3 Ba1 61.701(17) 5_556 5_566
P1 In3 Ba1 113.26(7) . .
P2 In3 Ba1 52.84(5) 2_565 .
P2 In3 Ba1 52.84(5) 2 .
In4 In3 Ba1 118.83(3) . .
Ba1 In3 Ba1 71.442(19) 5_556 .
Ba1 In3 Ba1 71.442(19) 5_566 .
P4 In4 P4 105.30(10) 5_666 5_656
P4 In4 P5 107.59(7) 5_666 .
P4 In4 P5 107.59(7) 5_656 .
P4 In4 In3 121.38(5) 5_666 .
P4 In4 In3 121.38(5) 5_656 .
P5 In4 In3 91.01(6) . .
P4 In4 Ba2 52.90(5) 5_666 6_656
P4 In4 Ba2 52.90(5) 5_656 6_656
P5 In4 Ba2 126.02(6) . 6_656
In3 In4 Ba2 142.97(3) . 6_656
P4 In4 Ba2 55.12(6) 5_666 2_565
P4 In4 Ba2 103.54(6) 5_656 2_565
P5 In4 Ba2 55.34(5) . 2_565
In3 In4 Ba2 131.13(2) . 2_565
Ba2 In4 Ba2 79.07(2) 6_656 2_565
P4 In4 Ba2 103.54(6) 5_666 2
P4 In4 Ba2 55.12(6) 5_656 2
P5 In4 Ba2 55.34(5) . 2
In3 In4 Ba2 131.13(2) . 2
Ba2 In4 Ba2 79.07(2) 6_656 2
Ba2 In4 Ba2 60.917(17) 2_565 2
P2 In5 P3 97.77(9) . .
P2 In5 P5 112.50(6) . 2_554
P3 In5 P5 114.42(6) . 2_554
P2 In5 P5 112.50(6) . 2_564
P3 In5 P5 114.42(6) . 2_564
P5 In5 P5 105.44(10) 2_554 2_564
P2 In5 Ba1 56.30(5) . 2_564
P3 In5 Ba1 56.12(5) . 2_564
P5 In5 Ba1 159.48(5) 2_554 2_564
P5 In5 Ba1 95.02(5) 2_564 2_564
P2 In5 Ba1 56.30(5) . 2_554
P3 In5 Ba1 56.12(5) . 2_554
P5 In5 Ba1 95.02(5) 2_554 2_554
P5 In5 Ba1 159.48(5) 2_564 2_554
Ba1 In5 Ba1 64.487(18) 2_564 2_554
In2 P1 In2 107.51(10) 2_564 2_554
In2 P1 In3 86.70(7) 2_564 .
In2 P1 In3 86.70(7) 2_554 .
In2 P1 Ba1 165.16(9) 2_564 5_556
In2 P1 Ba1 85.80(3) 2_554 5_556
In3 P1 Ba1 87.60(7) . 5_556
In2 P1 Ba1 85.80(3) 2_564 5_566
In2 P1 Ba1 165.16(9) 2_554 5_566
In3 P1 Ba1 87.60(7) . 5_566
Ba1 P1 Ba1 80.28(6) 5_556 5_566
In2 P1 Ba2 88.67(7) 2_564 .
In2 P1 Ba2 88.67(7) 2_554 .
In3 P1 Ba2 172.18(11) . .
Ba1 P1 Ba2 98.36(7) 5_556 .
Ba1 P1 Ba2 98.36(7) 5_566 .
In5 P2 In3 96.95(7) . 2_554
In5 P2 In3 96.95(7) . 2_564
In3 P2 In3 105.66(10) 2_554 2_564
In5 P2 Ba1 82.39(6) . 2_564
In3 P2 Ba1 166.59(8) 2_554 2_564
In3 P2 Ba1 87.69(2) 2_564 2_564
In5 P2 Ba1 82.39(6) . 2_554
In3 P2 Ba1 87.69(2) 2_554 2_554
In3 P2 Ba1 166.59(8) 2_564 2_554
Ba1 P2 Ba1 78.94(6) 2_564 2_554
In5 P2 Ba1 174.49(10) . 6_656
In3 P2 Ba1 86.35(7) 2_554 6_656
In3 P2 Ba1 86.35(7) 2_564 6_656
Ba1 P2 Ba1 93.37(6) 2_564 6_656
Ba1 P2 Ba1 93.37(6) 2_554 6_656
In1 P3 In1 106.21(10) 2_564 2_554
In1 P3 In5 98.48(7) 2_564 .
In1 P3 In5 98.48(7) 2_554 .
In1 P3 Ba1 166.14(8) 2_564 2_554
In1 P3 Ba1 87.26(3) 2_554 2_554
In5 P3 Ba1 82.37(6) . 2_554
In1 P3 Ba1 87.26(3) 2_564 2_564
In1 P3 Ba1 166.14(8) 2_554 2_564
In5 P3 Ba1 82.37(6) . 2_564
Ba1 P3 Ba1 79.13(6) 2_554 2_564
In1 P3 Ba2 84.48(7) 2_564 6_656
In1 P3 Ba2 84.48(7) 2_554 6_656
In5 P3 Ba2 174.99(11) . 6_656
Ba1 P3 Ba2 93.79(6) 2_554 6_656
Ba1 P3 Ba2 93.79(6) 2_564 6_656
In4 P4 In4 105.30(10) 5_666 5_656
In4 P4 In1 84.31(7) 5_666 6_657
In4 P4 In1 84.31(7) 5_656 6_657
In4 P4 Ba2 165.42(9) 5_666 2
In4 P4 Ba2 87.14(3) 5_656 2
In1 P4 Ba2 89.51(7) 6_657 2
In4 P4 Ba2 87.14(3) 5_666 2_565
In4 P4 Ba2 165.42(9) 5_656 2_565
In1 P4 Ba2 89.51(7) 6_657 2_565
Ba2 P4 Ba2 79.61(6) 2 2_565
In4 P4 Ba2 85.42(7) 5_666 6_656
In4 P4 Ba2 85.42(7) 5_656 6_656
In1 P4 Ba2 163.03(11) 6_657 6_656
Ba2 P4 Ba2 103.44(6) 2 6_656
Ba2 P4 Ba2 103.44(6) 2_565 6_656
In5 P5 In5 105.44(10) 2 2_565
In5 P5 In2 92.27(7) 2 .
In5 P5 In2 92.27(7) 2_565 .
In5 P5 In4 96.31(7) 2 .
In5 P5 In4 96.31(7) 2_565 .
In2 P5 In4 165.79(11) . .
In5 P5 Ba2 164.95(7) 2 2_565
In5 P5 Ba2 89.52(3) 2_565 2_565
In2 P5 Ba2 85.43(6) . 2_565
In4 P5 Ba2 83.35(6) . 2_565
In5 P5 Ba2 89.52(3) 2 2
In5 P5 Ba2 164.95(7) 2_565 2
In2 P5 Ba2 85.43(6) . 2
In4 P5 Ba2 83.35(6) . 2
Ba2 P5 Ba2 75.48(6) 2_565 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ba1 P1 3.226(2) 5_556
Ba1 P1 3.226(2) 5_566
Ba1 P3 3.266(2) 2_565
Ba1 P3 3.266(2) 2
Ba1 P2 3.272(2) 2
Ba1 P2 3.272(2) 2_565
Ba1 P2 3.275(3) 6_556
Ba1 In5 3.8986(9) 2_565
Ba1 In5 3.8986(9) 2
Ba1 In2 3.9803(11) 6_557
Ba1 In3 4.0559(9) 5_556
Ba1 In3 4.0559(9) 5_566
Ba2 P4 3.249(2) 2_554
Ba2 P4 3.249(2) 2_564
Ba2 P1 3.307(3) .
Ba2 P4 3.377(3) 6_556
Ba2 P5 3.398(2) 2_564
Ba2 P5 3.398(2) 2_554
Ba2 P3 3.503(3) 6_556
Ba2 In4 4.0686(11) 6_556
Ba2 In4 4.1032(10) 2_554
Ba2 In4 4.1032(10) 2_564
Ba2 Ba2 4.1599(6) 1_545
Ba2 Ba2 4.1599(6) 1_565
In1 P3 2.6008(17) 2
In1 P3 2.6008(17) 2_565
In1 P4 2.622(3) 6_557
In1 In2 2.7504(11) .
In2 P1 2.5789(17) 2_565
In2 P1 2.5789(17) 2
In2 P5 2.662(3) .
In2 Ba1 3.9803(11) 6_657
In3 P1 2.597(3) .
In3 P2 2.6102(17) 2_565
In3 P2 2.6102(17) 2
In3 In4 2.7760(11) .
In3 Ba1 4.0560(9) 5_556
In3 Ba1 4.0560(9) 5_566
In4 P4 2.6165(17) 5_666
In4 P4 2.6165(17) 5_656
In4 P5 2.727(3) .
In4 Ba2 4.0686(11) 6_656
In4 Ba2 4.1032(10) 2_565
In4 Ba2 4.1032(10) 2
In5 P2 2.596(3) .
In5 P3 2.607(3) .
In5 P5 2.6141(17) 2_554
In5 P5 2.6141(17) 2_564
In5 Ba1 3.8986(9) 2_564
In5 Ba1 3.8986(9) 2_554
P1 In2 2.5789(17) 2_564
P1 In2 2.5789(17) 2_554
P1 Ba1 3.226(2) 5_556
P1 Ba1 3.226(2) 5_566
P2 In3 2.6102(17) 2_554
P2 In3 2.6102(17) 2_564
P2 Ba1 3.272(2) 2_564
P2 Ba1 3.272(2) 2_554
P2 Ba1 3.275(3) 6_656
P3 In1 2.6008(17) 2_564
P3 In1 2.6008(17) 2_554
P3 Ba1 3.266(2) 2_554
P3 Ba1 3.266(2) 2_564
P3 Ba2 3.503(3) 6_656
P4 In4 2.6165(17) 5_666
P4 In4 2.6165(17) 5_656
P4 In1 2.622(3) 6_657
P4 Ba2 3.249(2) 2
P4 Ba2 3.249(2) 2_565
P4 Ba2 3.377(3) 6_656
P5 In5 2.6140(17) 2
P5 In5 2.6140(17) 2_565
P5 Ba2 3.398(2) 2_565
P5 Ba2 3.398(2) 2
