#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:33:09 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179506 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/03/4340351.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_4340351
loop_
_publ_author_name
'Wu, Shijun'
'Kowalski, Piotr M.'
'Yu, Na'
'Malcherek, Thomas'
'Depmeier, Wulf'
'Bosbach, Dirk'
'Wang, Shuao'
'Suleimanov, Evgeny V.'
'Albrecht-Schmitt, Thomas E'
'Alekseev, Evgeny V.'
_publ_section_title
;
 Highly Distorted Uranyl Ion Coordination and One/Two-Dimensional
 Structural Relationship in the Ba2[UO2(TO4)2] (T = P, As) System: An
 Experimental and Computational Study.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7650
_journal_page_last               7660
_journal_paper_doi               10.1021/ic500965v
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         Ba2(UO2)(PO4)2
_chemical_formula_sum            'Ba2 O10 P2 U'
_chemical_formula_weight         734.63
_chemical_melting_point          ?
_chemical_name_common            'Barium uranyl phosphate'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.55(3)
_cell_angle_beta                 93.87(2)
_cell_angle_gamma                112.13(3)
_cell_formula_units_Z            2
_cell_length_a                   6.774(2)
_cell_length_b                   8.634(3)
_cell_length_c                   9.030(4)
_cell_measurement_reflns_used    2307
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.37
_cell_volume                     465.7(3)
_computing_cell_refinement       postref
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        Eva114/EVALCCD'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    WINGX/Sir92
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0268
_diffrn_reflns_av_sigmaI/netI    0.0127
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            24059
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.37
_exptl_absorpt_coefficient_mu    26.086
_exptl_absorpt_correction_T_max  0.009
_exptl_absorpt_correction_T_min  0.001
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    5.239
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_refine_diff_density_max         6.351
_refine_diff_density_min         -2.908
_refine_diff_density_rms         0.665
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.367
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         2304
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.367
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1427
_refine_ls_wR_factor_ref         0.1442
_reflns_number_gt                2252
_reflns_number_total             2304
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic500965v_si_002.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'n/a' was changed to '?' - the value
is undefined or not given.

'_symmetry_cell_setting' value
'Triclinic' changed to 'triclinic' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4340349--4340351.cif.
;
_cod_database_code               4340351
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
U1 U -0.004423(4) 0.746768(3) 0.780899(4) 0.01329(1) Uani 1 1 d
Ba1 Ba -0.342537(7) 1.048809(6) 0.762912(6) 0.01190(1) Uani 1 1 d
Ba2 Ba 0.313868(7) 0.418048(6) 0.703377(7) 0.01631(1) Uani 1 1 d
P1 P -0.28198(3) 1.31179(3) 0.53297(3) 0.01028(6) Uani 1 1 d
P2 P -0.30070(3) 0.81680(3) 1.03024(3) 0.01230(6) Uani 1 1 d
O1 O -0.50902(9) 1.18880(9) 0.54110(8) 0.01789(19) Uani 1 1 d
O2 O -0.25556(9) 1.28451(8) 0.35981(8) 0.01578(17) Uani 1 1 d
O3 O -0.26000(9) 1.50422(7) 0.59421(8) 0.01413(17) Uani 1 1 d
O4 O -0.11069(9) 1.28212(8) 0.62335(8) 0.01838(19) Uani 1 1 d
O5 O -0.34610(10) 0.74280(7) 0.85073(8) 0.01689(18) Uani 1 1 d
O6 O -0.29247(9) 1.00532(7) 1.07220(8) 0.01496(18) Uani 1 1 d
O7 O -0.05888(10) 0.87061(8) 0.66692(10) 0.0235(2) Uani 1 1 d
O8 O -0.47693(12) 0.70912(9) 1.10201(9) 0.0274(2) Uani 1 1 d
O9 O 0.06684(11) 0.61682(9) 0.87938(9) 0.0251(2) Uani 1 1 d
O10 O -0.07760(10) 0.82372(10) 1.08107(11) 0.0397(3) Uani 1 1 d
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
U U -9.6767 9.6646 '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
O9 U1 O7 173.67(4) . .
O9 U1 O2 83.58(4) . 2_576
O7 U1 O2 90.22(4) . 2_576
O9 U1 O3 92.59(4) . 1_545
O7 U1 O3 85.93(4) . 1_545
O2 U1 O3 88.48(4) 2_576 1_545
O9 U1 O6 90.82(4) . 2_577
O7 U1 O6 89.46(4) . 2_577
O2 U1 O6 80.79(4) 2_576 2_577
O3 U1 O6 168.31(3) 1_545 2_577
O9 U1 O5 106.01(4) . .
O7 U1 O5 79.66(4) . .
O2 U1 O5 162.47(2) 2_576 .
O3 U1 O5 76.65(4) 1_545 .
O6 U1 O5 113.09(4) 2_577 .
O9 U1 O10 70.15(4) . .
O7 U1 O10 115.91(4) . .
O2 U1 O10 141.70(3) 2_576 .
O3 U1 O10 119.17(4) 1_545 .
O6 U1 O10 72.49(4) 2_577 .
O5 U1 O10 55.65(3) . .
O9 U1 P2 90.57(4) . .
O7 U1 P2 95.75(4) . .
O2 U1 P2 169.840(16) 2_576 .
O3 U1 P2 100.11(4) 1_545 .
O6 U1 P2 91.03(4) 2_577 .
O5 U1 P2 27.69(2) . .
O10 U1 P2 28.31(2) . .
O9 U1 Ba1 147.44(3) . .
O7 U1 Ba1 38.89(3) . .
O2 U1 Ba1 128.50(3) 2_576 .
O3 U1 Ba1 93.57(3) 1_545 .
O6 U1 Ba1 89.54(3) 2_577 .
O5 U1 Ba1 45.14(3) . .
O10 U1 Ba1 78.97(3) . .
P2 U1 Ba1 56.87(2) . .
O9 U1 Ba2 42.77(3) . .
O7 U1 Ba2 130.93(3) . .
O2 U1 Ba2 43.52(3) 2_576 .
O3 U1 Ba2 78.89(3) 1_545 .
O6 U1 Ba2 96.20(4) 2_577 .
O5 U1 Ba2 138.79(3) . .
O10 U1 Ba2 112.23(3) . .
P2 U1 Ba2 132.64(2) . .
Ba1 U1 Ba2 168.520(7) . .
O9 U1 Ba1 57.50(3) . 2_577
O7 U1 Ba1 125.50(3) . 2_577
O2 U1 Ba1 101.69(3) 2_576 2_577
O3 U1 Ba1 146.35(3) 1_545 2_577
O6 U1 Ba1 42.31(3) 2_577 2_577
O5 U1 Ba1 95.83(3) . 2_577
O10 U1 Ba1 40.64(3) . 2_577
P2 U1 Ba1 68.15(3) . 2_577
Ba1 U1 Ba1 104.20(3) . 2_577
Ba2 U1 Ba1 86.64(3) . 2_577
O9 U1 Ba1 92.85(3) . 1_655
O7 U1 Ba1 83.33(3) . 1_655
O2 U1 Ba1 41.82(3) 2_576 1_655
O3 U1 Ba1 128.75(3) 1_545 1_655
O6 U1 Ba1 39.82(3) 2_577 1_655
O5 U1 Ba1 148.22(2) . 1_655
O10 U1 Ba1 110.53(3) . 1_655
P2 U1 Ba1 130.72(3) . 1_655
Ba1 U1 Ba1 107.77(3) . 1_655
Ba2 U1 Ba1 71.45(3) . 1_655
Ba1 U1 Ba1 72.74(3) 2_577 1_655
O4 Ba1 O10 75.77(4) . 2_577
O4 Ba1 O1 84.96(4) . 2_476
O10 Ba1 O1 123.10(3) 2_577 2_476
O4 Ba1 O8 88.11(4) . 2_477
O10 Ba1 O8 107.61(4) 2_577 2_477
O1 Ba1 O8 124.90(3) 2_476 2_477
O4 Ba1 O6 137.64(3) . 2_477
O10 Ba1 O6 121.62(4) 2_577 2_477
O1 Ba1 O6 108.66(4) 2_476 2_477
O8 Ba1 O6 50.81(3) 2_477 2_477
O4 Ba1 O6 135.02(3) . .
O10 Ba1 O6 63.98(3) 2_577 .
O1 Ba1 O6 133.42(3) 2_476 .
O8 Ba1 O6 85.77(4) 2_477 .
O6 Ba1 O6 61.26(3) 2_477 .
O4 Ba1 O7 85.14(3) . .
O10 Ba1 O7 58.93(4) 2_577 .
O1 Ba1 O7 66.58(3) 2_476 .
O8 Ba1 O7 166.112(19) 2_477 .
O6 Ba1 O7 137.21(3) 2_477 .
O6 Ba1 O7 90.45(3) . .
O4 Ba1 O5 140.43(3) . .
O10 Ba1 O5 78.98(4) 2_577 .
O1 Ba1 O5 83.89(4) 2_476 .
O8 Ba1 O5 128.77(3) 2_477 .
O6 Ba1 O5 81.77(3) 2_477 .
O6 Ba1 O5 50.61(3) . .
O7 Ba1 O5 55.64(3) . .
O4 Ba1 O1 52.46(3) . .
O10 Ba1 O1 127.15(3) 2_577 .
O1 Ba1 O1 67.45(4) 2_476 .
O8 Ba1 O1 65.37(4) 2_477 .
O6 Ba1 O1 94.93(3) 2_477 .
O6 Ba1 O1 150.81(2) . .
O7 Ba1 O1 118.61(3) . .
O5 Ba1 O1 148.55(3) . .
O4 Ba1 O2 131.58(3) . 2_476
O10 Ba1 O2 141.32(3) 2_577 2_476
O1 Ba1 O2 50.90(3) 2_476 2_476
O8 Ba1 O2 100.89(4) 2_477 2_476
O6 Ba1 O2 60.61(3) 2_477 2_476
O6 Ba1 O2 93.28(4) . 2_476
O7 Ba1 O2 92.66(4) . 2_476
O5 Ba1 O2 62.74(3) . 2_476
O1 Ba1 O2 88.29(4) . 2_476
O4 Ba1 P1 25.78(2) . .
O10 Ba1 P1 100.71(4) 2_577 .
O1 Ba1 P1 76.46(4) 2_476 .
O8 Ba1 P1 74.26(3) 2_477 .
O6 Ba1 P1 116.88(3) 2_477 .
O6 Ba1 P1 150.07(2) . .
O7 Ba1 P1 103.58(3) . .
O5 Ba1 P1 156.301(18) . .
O1 Ba1 P1 26.778(18) . .
O2 Ba1 P1 111.98(3) 2_476 .
O4 Ba1 P1 106.59(4) . 2_476
O10 Ba1 P1 140.43(3) 2_577 2_476
O1 Ba1 P1 25.13(2) 2_476 2_476
O8 Ba1 P1 111.93(3) 2_477 2_476
O6 Ba1 P1 83.94(4) 2_477 2_476
O6 Ba1 P1 117.00(3) . 2_476
O7 Ba1 P1 81.67(3) . 2_476
O5 Ba1 P1 75.41(3) . 2_476
O1 Ba1 P1 73.14(3) . 2_476
O2 Ba1 P1 26.28(2) 2_476 2_476
P1 Ba1 P1 91.41(4) . 2_476
O4 Ba2 O8 116.59(3) 1_545 2_567
O4 Ba2 O5 139.11(3) 1_545 1_655
O8 Ba2 O5 87.33(4) 2_567 1_655
O4 Ba2 O1 111.17(4) 1_545 1_645
O8 Ba2 O1 69.33(4) 2_567 1_645
O5 Ba2 O1 108.17(4) 1_655 1_645
O4 Ba2 O2 80.19(4) 1_545 2_576
O8 Ba2 O2 148.98(3) 2_567 2_576
O5 Ba2 O2 65.45(3) 1_655 2_576
O1 Ba2 O2 131.53(3) 1_645 2_576
O4 Ba2 O3 78.45(3) 1_545 2_576
O8 Ba2 O3 153.66(3) 2_567 2_576
O5 Ba2 O3 94.25(4) 1_655 2_576
O1 Ba2 O3 85.30(4) 1_645 2_576
O2 Ba2 O3 49.70(3) 2_576 2_576
O4 Ba2 O3 146.60(3) 1_545 1_645
O8 Ba2 O3 85.32(3) 2_567 1_645
O5 Ba2 O3 60.90(3) 1_655 1_645
O1 Ba2 O3 50.67(3) 1_645 1_645
O2 Ba2 O3 93.41(3) 2_576 1_645
O3 Ba2 O3 72.73(3) 2_576 1_645
O4 Ba2 O9 62.12(4) 1_545 .
O8 Ba2 O9 108.38(4) 2_567 .
O5 Ba2 O9 79.50(4) 1_655 .
O1 Ba2 O9 171.599(18) 1_645 .
O2 Ba2 O9 54.32(3) 2_576 .
O3 Ba2 O9 97.74(3) 2_576 .
O3 Ba2 O9 137.72(3) 1_645 .
O4 Ba2 O10 68.32(3) 1_545 2_567
O8 Ba2 O10 49.57(3) 2_567 2_567
O5 Ba2 O10 118.04(4) 1_655 2_567
O1 Ba2 O10 96.24(3) 1_645 2_567
O2 Ba2 O10 130.26(3) 2_576 2_567
O3 Ba2 O10 144.95(3) 2_576 2_567
O3 Ba2 O10 133.52(3) 1_645 2_567
O9 Ba2 O10 76.76(3) . 2_567
O4 Ba2 P2 93.33(3) 1_545 2_567
O8 Ba2 P2 23.83(2) 2_567 2_567
O5 Ba2 P2 103.14(4) 1_655 2_567
O1 Ba2 P2 81.46(3) 1_645 2_567
O2 Ba2 P2 146.60(2) 2_576 2_567
O3 Ba2 P2 160.727(16) 2_576 2_567
O3 Ba2 P2 108.52(3) 1_645 2_567
O9 Ba2 P2 93.60(3) . 2_567
O10 Ba2 P2 25.742(19) 2_567 2_567
O4 Ba2 P1 132.34(3) 1_545 1_645
O8 Ba2 P1 73.92(3) 2_567 1_645
O5 Ba2 P1 84.32(4) 1_655 1_645
O1 Ba2 P1 24.796(18) 1_645 1_645
O2 Ba2 P1 115.36(3) 2_576 1_645
O3 Ba2 P1 80.07(3) 2_576 1_645
O3 Ba2 P1 26.034(18) 1_645 1_645
O9 Ba2 P1 163.483(16) . 1_645
O10 Ba2 P1 114.33(3) 2_567 1_645
P2 Ba2 P1 93.29(3) 2_567 1_645
O4 Ba2 P1 82.53(3) 1_545 2_576
O8 Ba2 P1 160.752(18) 2_567 2_576
O5 Ba2 P1 75.64(3) 1_655 2_576
O1 Ba2 P1 107.21(3) 1_645 2_576
O2 Ba2 P1 25.084(18) 2_576 2_576
O3 Ba2 P1 25.306(19) 2_576 2_576
O3 Ba2 P1 78.64(3) 1_645 2_576
O9 Ba2 P1 77.65(3) . 2_576
O10 Ba2 P1 147.78(2) 2_567 2_576
P2 Ba2 P1 171.252(7) 2_567 2_576
P1 Ba2 P1 95.19(3) 1_645 2_576
O4 P1 O1 111.29(5) . .
O4 P1 O2 110.65(5) . .
O1 P1 O2 109.24(5) . .
O4 P1 O3 111.70(5) . .
O1 P1 O3 108.58(5) . .
O2 P1 O3 105.16(5) . .
O4 P1 Ba1 50.97(3) . .
O1 P1 Ba1 60.59(4) . .
O2 P1 Ba1 131.87(4) . .
O3 P1 Ba1 122.87(4) . .
O4 P1 Ba1 117.07(4) . 2_476
O1 P1 Ba1 52.02(4) . 2_476
O2 P1 Ba1 58.73(4) . 2_476
O3 P1 Ba1 131.22(4) . 2_476
Ba1 P1 Ba1 88.59(4) . 2_476
O4 P1 Ba2 122.72(4) . 1_465
O1 P1 Ba2 51.44(4) . 1_465
O2 P1 Ba2 126.62(3) . 1_465
O3 P1 Ba2 57.61(4) . 1_465
Ba1 P1 Ba2 85.86(3) . 1_465
Ba1 P1 Ba2 93.46(3) 2_476 1_465
O4 P1 Ba2 138.69(3) . 2_576
O1 P1 Ba2 110.00(4) . 2_576
O2 P1 Ba2 52.87(4) . 2_576
O3 P1 Ba2 54.27(4) . 2_576
Ba1 P1 Ba2 169.806(9) . 2_576
Ba1 P1 Ba2 87.89(3) 2_476 2_576
Ba2 P1 Ba2 84.81(3) 1_465 2_576
O8 P2 O10 114.04(6) . .
O8 P2 O5 112.02(5) . .
O10 P2 O5 104.83(5) . .
O8 P2 O6 108.15(5) . .
O10 P2 O6 109.91(5) . .
O5 P2 O6 107.71(5) . .
O8 P2 U1 137.23(4) . .
O10 P2 U1 58.81(5) . .
O5 P2 U1 46.85(3) . .
O6 P2 U1 113.74(4) . .
O8 P2 Ba2 45.61(4) . 2_567
O10 P2 Ba2 68.44(5) . 2_567
O5 P2 Ba2 126.64(4) . 2_567
O6 P2 Ba2 124.67(4) . 2_567
U1 P2 Ba2 110.73(3) . 2_567
O8 P2 Ba1 52.90(4) . 2_477
O10 P2 Ba1 132.46(4) . 2_477
O5 P2 Ba1 122.62(4) . 2_477
O6 P2 Ba1 55.35(4) . 2_477
U1 P2 Ba1 164.758(11) . 2_477
Ba2 P2 Ba1 84.38(3) 2_567 2_477
O8 P2 Ba1 128.65(4) . .
O10 P2 Ba1 117.31(4) . .
O5 P2 Ba1 54.11(4) . .
O6 P2 Ba1 53.73(4) . .
U1 P2 Ba1 74.13(3) . .
Ba2 P2 Ba1 174.185(8) 2_567 .
Ba1 P2 Ba1 90.67(3) 2_477 .
P1 O1 Ba1 102.84(5) . 2_476
P1 O1 Ba2 103.76(5) . 1_465
Ba1 O1 Ba2 128.99(3) 2_476 1_465
P1 O1 Ba1 92.63(4) . .
Ba1 O1 Ba1 112.55(4) 2_476 .
Ba2 O1 Ba1 108.80(4) 1_465 .
P1 O2 U1 135.79(4) . 2_576
P1 O2 Ba2 102.05(4) . 2_576
U1 O2 Ba2 103.72(4) 2_576 2_576
P1 O2 Ba1 94.99(4) . 2_476
U1 O2 Ba1 107.50(4) 2_576 2_476
Ba2 O2 Ba1 112.16(4) 2_576 2_476
P1 O3 U1 131.69(5) . 1_565
P1 O3 Ba2 100.42(5) . 2_576
U1 O3 Ba2 110.76(4) 1_565 2_576
P1 O3 Ba2 96.36(4) . 1_465
U1 O3 Ba2 107.85(4) 1_565 1_465
Ba2 O3 Ba2 107.27(3) 2_576 1_465
P1 O4 Ba2 138.65(4) . 1_565
P1 O4 Ba1 103.25(4) . .
Ba2 O4 Ba1 117.42(4) 1_565 .
P2 O5 U1 105.46(4) . .
P2 O5 Ba2 119.75(5) . 1_455
U1 O5 Ba2 111.07(4) . 1_455
P2 O5 Ba1 100.61(4) . .
U1 O5 Ba1 98.93(3) . .
Ba2 O5 Ba1 118.33(4) 1_455 .
P2 O6 U1 124.13(5) . 2_577
P2 O6 Ba1 98.68(4) . 2_477
U1 O6 Ba1 109.68(4) 2_577 2_477
P2 O6 Ba1 100.90(4) . .
U1 O6 Ba1 105.49(4) 2_577 .
Ba1 O6 Ba1 118.74(3) 2_477 .
U1 O7 Ba1 118.82(5) . .
P2 O8 Ba2 110.56(5) . 2_567
P2 O8 Ba1 102.22(5) . 2_477
Ba2 O8 Ba1 116.48(4) 2_567 2_477
U1 O9 Ba2 114.18(4) . .
P2 O10 U1 92.88(5) . .
P2 O10 Ba1 159.63(5) . 2_577
U1 O10 Ba1 98.90(4) . 2_577
P2 O10 Ba2 85.81(4) . 2_567
U1 O10 Ba2 133.24(4) . 2_567
Ba1 O10 Ba2 97.85(4) 2_577 2_567
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O9 1.7703(11) .
U1 O7 1.7713(11) .
U1 O2 2.2972(9) 2_576
U1 O3 2.3077(14) 1_545
U1 O6 2.3143(14) 2_577
U1 O5 2.4298(10) .
U1 O10 2.7494(15) .
U1 P2 3.2099(10) .
U1 Ba1 4.0909(12) .
U1 Ba2 4.1243(13) .
U1 Ba1 4.186(2) 2_577
U1 Ba1 4.2932(17) 1_655
Ba1 O4 2.6966(12) .
Ba1 O10 2.7596(13) 2_577
Ba1 O1 2.8283(16) 2_476
Ba1 O8 2.8632(13) 2_477
Ba1 O6 2.9197(11) 2_477
Ba1 O6 2.9242(14) .
Ba1 O7 2.9314(11) .
Ba1 O5 2.9355(12) .
Ba1 O1 2.9467(13) .
Ba1 O2 3.0015(16) 2_476
Ba1 P1 3.3789(12) .
Ba1 P1 3.4983(19) 2_476
Ba2 O4 2.6308(12) 1_545
Ba2 O8 2.6711(12) 2_567
Ba2 O5 2.7899(16) 1_655
Ba2 O1 2.8414(12) 1_645
Ba2 O2 2.9235(12) 2_576
Ba2 O3 2.9602(14) 2_576
Ba2 O3 2.9987(11) 1_645
Ba2 O9 3.0698(13) .
Ba2 O10 3.2637(15) 2_567
Ba2 P2 3.4998(13) 2_567
Ba2 P1 3.5294(10) 1_645
Ba2 P1 3.5862(12) 2_576
P1 O4 1.5097(9) .
P1 O1 1.5239(9) .
P1 O2 1.5546(10) .
P1 O3 1.5587(9) .
P1 Ba1 3.4983(19) 2_476
P1 Ba2 3.5294(10) 1_465
P1 Ba2 3.5863(12) 2_576
P2 O8 1.5102(10) .
P2 O10 1.5241(9) .
P2 O5 1.5474(10) .
P2 O6 1.5540(9) .
P2 Ba2 3.4998(13) 2_567
P2 Ba1 3.5084(10) 2_477
O1 Ba1 2.8283(16) 2_476
O1 Ba2 2.8414(12) 1_465
O2 U1 2.2972(9) 2_576
O2 Ba2 2.9236(12) 2_576
O2 Ba1 3.0016(16) 2_476
O3 U1 2.3077(14) 1_565
O3 Ba2 2.9602(14) 2_576
O3 Ba2 2.9987(11) 1_465
O4 Ba2 2.6308(12) 1_565
O5 Ba2 2.7900(16) 1_455
O6 U1 2.3143(13) 2_577
O6 Ba1 2.9197(11) 2_477
O8 Ba2 2.6711(12) 2_567
O8 Ba1 2.8632(13) 2_477
O10 Ba1 2.7596(13) 2_577
O10 Ba2 3.2637(15) 2_567
