#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:52:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179397 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/94/4329434.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_4329434
loop_
_publ_author_name
'Eric M. Villa'
'Connor J. Marr'
'Laurent J. Jouffret'
'Evgeny V. Alekseev'
'Wulf Depmeier'
'Thomas E. Albrecht-Schmitt'
_publ_section_title
;
 Systematic Evolution from Uranyl(VI) Phosphites to Uranium(IV) Phosphates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6548
_journal_page_last               6558
_journal_paper_doi               10.1021/ic3000735
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         Cs[U(PO4)(HPO4)x(HPO3)1-x]
_chemical_formula_sum            'Cs H0 O8 P2 U'
_chemical_formula_weight         560.88
_chemical_name_common            'Cesium Uranium(IV) Phosphate(Phosphite)'
_chemical_name_systematic
; 
 ? 
;
_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_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                 113.944(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.7425(7)
_cell_length_b                   5.6681(5)
_cell_length_c                   9.1291(7)
_cell_measurement_reflns_used    1198
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.52
_cell_measurement_theta_min      2.44
_cell_volume                     366.16(6)
_computing_cell_refinement       'smart saint'
_computing_data_collection       smart
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXCIF-97 (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'BRUKER apex II'
_diffrn_measurement_method       '0.5 wide w/ exposures'
_diffrn_radiation_monochromator  'Quazar optics'
_diffrn_radiation_source         'Imus microfocused'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_sigmaI/netI    0.0195
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5908
_diffrn_reflns_theta_full        30.52
_diffrn_reflns_theta_max         30.52
_diffrn_reflns_theta_min         2.44
_exptl_absorpt_coefficient_mu    27.507
_exptl_absorpt_correction_T_max  0.662
_exptl_absorpt_correction_T_min  0.346
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SHELTXPREP
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    5.087
_exptl_crystal_density_meas      ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             482
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.035
_exptl_crystal_size_min          0.015
_refine_diff_density_max         1.884
_refine_diff_density_min         -1.378
_refine_diff_density_rms         0.233
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     73
_refine_ls_number_reflns         1198
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0200
_refine_ls_R_factor_gt           0.0188
_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)+(0.0189P)²+2.2815P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0446
_refine_ls_wR_factor_ref         0.0450
_reflns_number_gt                1160
_reflns_number_total             1198
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3000735_si_002_7.cif
_cod_data_source_block           Cs_U(IV)_PO4_PO3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'N/A' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        366.16(5)
_cod_database_code               4329434
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_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
U1 U 0.77104(3) 0.2500 0.28856(2) 0.00890(7) Uani 1 2 d S
Cs1 Cs 0.72523(6) 0.2500 0.74010(5) 0.01792(10) Uani 1 2 d S
P1A P 0.7293(3) -0.2500 0.0059(2) 0.0059(4) Uani 0.82 2 d SP
P1B P 0.662(2) -0.2500 0.0385(16) 0.029(3) Uani 0.18 2 d SP
P2 P 1.1940(2) 0.2500 0.50778(17) 0.0090(3) Uani 1 2 d S
O1 O 1.0985(6) 0.2500 0.3221(5) 0.0103(8) Uani 1 2 d S
O2 O 1.0276(6) 0.2500 0.5575(5) 0.0147(9) Uani 1 2 d S
O3 O 1.3170(4) 0.0301(5) 0.5731(3) 0.0120(6) Uani 1 1 d .
O4 O 0.5536(6) -0.2500 -0.1488(5) 0.0140(8) Uani 1 2 d S
O5 O 0.7475(5) -0.0265(5) 0.1028(4) 0.0172(6) Uani 1 1 d .
O6 O 0.9025(11) -0.2500 -0.0373(9) 0.0523(19) 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
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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'
Cs Cs -0.3680 2.1192 '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
O5 U1 O5 87.75(16) . 4_565
O5 U1 O3 159.97(12) . 2_756
O5 U1 O3 88.96(11) 4_565 2_756
O5 U1 O3 88.96(11) . 3_756
O5 U1 O3 159.97(12) 4_565 3_756
O3 U1 O3 87.41(15) 2_756 3_756
O5 U1 O4 81.23(12) . 3_655
O5 U1 O4 81.23(12) 4_565 3_655
O3 U1 O4 78.74(11) 2_756 3_655
O3 U1 O4 78.74(11) 3_756 3_655
O5 U1 O1 81.77(11) . .
O5 U1 O1 81.77(11) 4_565 .
O3 U1 O1 117.28(10) 2_756 .
O3 U1 O1 117.28(10) 3_756 .
O4 U1 O1 156.33(15) 3_655 .
O5 U1 O2 122.46(10) . .
O5 U1 O2 122.46(10) 4_565 .
O3 U1 O2 75.51(10) 2_756 .
O3 U1 O2 75.52(10) 3_756 .
O4 U1 O2 144.09(15) 3_655 .
O1 U1 O2 59.58(14) . .
O5 U1 P2 103.24(9) . .
O5 U1 P2 103.24(9) 4_565 .
O3 U1 P2 96.75(8) 2_756 .
O3 U1 P2 96.75(8) 3_756 .
O4 U1 P2 173.69(12) 3_655 .
O1 U1 P2 29.98(10) . .
O2 U1 P2 29.60(11) . .
O5 U1 P2 165.75(8) . 3_766
O5 U1 P2 78.05(8) 4_565 3_766
O3 U1 P2 23.46(8) 2_756 3_766
O3 U1 P2 104.79(8) 3_756 3_766
O4 U1 P2 97.56(6) 3_655 3_766
O1 U1 P2 94.89(6) . 3_766
O2 U1 P2 65.98(5) . 3_766
P2 U1 P2 79.22(3) . 3_766
O5 U1 P2 78.05(8) . 3_756
O5 U1 P2 165.75(8) 4_565 3_756
O3 U1 P2 104.79(8) 2_756 3_756
O3 U1 P2 23.46(8) 3_756 3_756
O4 U1 P2 97.56(6) 3_655 3_756
O1 U1 P2 94.89(6) . 3_756
O2 U1 P2 65.98(5) . 3_756
P2 U1 P2 79.22(3) . 3_756
P2 U1 P2 116.12(4) 3_766 3_756
O5 U1 Cs1 135.19(8) . .
O5 U1 Cs1 135.19(8) 4_565 .
O3 U1 Cs1 46.46(7) 2_756 .
O3 U1 Cs1 46.46(7) 3_756 .
O4 U1 Cs1 92.00(11) 3_655 .
O1 U1 Cs1 111.67(10) . .
O2 U1 Cs1 52.09(11) . .
P2 U1 Cs1 81.69(3) . .
P2 U1 Cs1 58.89(2) 3_766 .
P2 U1 Cs1 58.89(2) 3_756 .
O5 U1 Cs1 74.03(9) . 3_656
O5 U1 Cs1 124.15(9) 4_565 3_656
O3 U1 Cs1 91.67(8) 2_756 3_656
O3 U1 Cs1 36.40(7) 3_756 3_656
O4 U1 Cs1 44.54(6) 3_655 3_656
O1 U1 Cs1 142.774(8) . 3_656
O2 U1 Cs1 111.57(8) . 3_656
P2 U1 Cs1 132.001(18) . 3_656
P2 U1 Cs1 115.01(3) 3_766 3_656
P2 U1 Cs1 53.02(3) 3_756 3_656
Cs1 U1 Cs1 70.595(9) . 3_656
O6 Cs1 O3 145.96(11) 3_756 1_455
O6 Cs1 O3 145.96(11) 3_756 4_465
O3 Cs1 O3 46.54(11) 1_455 4_465
O6 Cs1 O3 121.08(13) 3_756 3_756
O3 Cs1 O3 69.50(9) 1_455 3_756
O3 Cs1 O3 92.62(6) 4_465 3_756
O6 Cs1 O3 121.08(13) 3_756 2_756
O3 Cs1 O3 92.62(6) 1_455 2_756
O3 Cs1 O3 69.50(9) 4_465 2_756
O3 Cs1 O3 60.13(10) 3_756 2_756
O6 Cs1 O1 81.10(10) 3_756 3_766
O3 Cs1 O1 131.34(9) 1_455 3_766
O3 Cs1 O1 88.89(9) 4_465 3_766
O3 Cs1 O1 100.00(9) 3_756 3_766
O3 Cs1 O1 46.49(9) 2_756 3_766
O6 Cs1 O1 81.10(10) 3_756 3_756
O3 Cs1 O1 88.89(9) 1_455 3_756
O3 Cs1 O1 131.34(9) 4_465 3_756
O3 Cs1 O1 46.49(9) 3_756 3_756
O3 Cs1 O1 100.00(9) 2_756 3_756
O1 Cs1 O1 118.75(13) 3_766 3_756
O6 Cs1 O2 81.10(16) 3_756 .
O3 Cs1 O2 121.34(9) 1_455 .
O3 Cs1 O2 121.34(9) 4_465 .
O3 Cs1 O2 52.67(8) 3_756 .
O3 Cs1 O2 52.67(8) 2_756 .
O1 Cs1 O2 59.77(6) 3_766 .
O1 Cs1 O2 59.77(6) 3_756 .
O6 Cs1 O6 57.82(12) 3_756 1_566
O3 Cs1 O6 133.92(14) 1_455 1_566
O3 Cs1 O6 92.37(12) 4_465 1_566
O3 Cs1 O6 144.87(13) 3_756 1_566
O3 Cs1 O6 89.46(12) 2_756 1_566
O1 Cs1 O6 45.37(13) 3_766 1_566
O1 Cs1 O6 135.93(14) 3_756 1_566
O2 Cs1 O6 95.82(13) . 1_566
O6 Cs1 O6 57.82(12) 3_756 1_556
O3 Cs1 O6 92.37(13) 1_455 1_556
O3 Cs1 O6 133.92(14) 4_465 1_556
O3 Cs1 O6 89.46(12) 3_756 1_556
O3 Cs1 O6 144.87(13) 2_756 1_556
O1 Cs1 O6 135.93(14) 3_766 1_556
O1 Cs1 O6 45.37(13) 3_756 1_556
O2 Cs1 O6 95.82(13) . 1_556
O6 Cs1 O6 111.3(2) 1_566 1_556
O6 Cs1 O4 94.37(11) 3_756 1_556
O3 Cs1 O4 52.28(9) 1_455 1_556
O3 Cs1 O4 92.10(9) 4_465 1_556
O3 Cs1 O4 86.71(8) 3_756 1_556
O3 Cs1 O4 139.92(9) 2_756 1_556
O1 Cs1 O4 173.16(10) 3_766 1_556
O1 Cs1 O4 65.17(9) 3_756 1_556
O2 Cs1 O4 124.82(6) . 1_556
O6 Cs1 O4 127.81(13) 1_566 1_556
O6 Cs1 O4 42.05(14) 1_556 1_556
O6 Cs1 O4 94.37(11) 3_756 1_566
O3 Cs1 O4 92.10(9) 1_455 1_566
O3 Cs1 O4 52.28(9) 4_465 1_566
O3 Cs1 O4 139.92(9) 3_756 1_566
O3 Cs1 O4 86.71(8) 2_756 1_566
O1 Cs1 O4 65.17(9) 3_766 1_566
O1 Cs1 O4 173.16(10) 3_756 1_566
O2 Cs1 O4 124.82(7) . 1_566
O6 Cs1 O4 42.05(14) 1_566 1_566
O6 Cs1 O4 127.81(13) 1_556 1_566
O4 Cs1 O4 110.34(13) 1_556 1_566
P1B P1A O4 81.6(10) . .
P1B P1A O5 70.2(5) . 4
O4 P1A O5 112.33(17) . 4
P1B P1A O5 70.2(5) . .
O4 P1A O5 112.33(17) . .
O5 P1A O5 113.1(3) 4 .
P1B P1A O6 170.6(11) . .
O4 P1A O6 107.8(3) . .
O5 P1A O6 105.3(2) 4 .
O5 P1A O6 105.3(2) . .
P1B P1A Cs1 117.9(5) . 1_544
O4 P1A Cs1 67.95(11) . 1_544
O5 P1A Cs1 73.67(13) 4 1_544
O5 P1A Cs1 171.48(17) . 1_544
O6 P1A Cs1 67.15(16) . 1_544
P1B P1A Cs1 117.9(5) . 1_554
O4 P1A Cs1 67.95(11) . 1_554
O5 P1A Cs1 171.48(17) 4 1_554
O5 P1A Cs1 73.67(13) . 1_554
O6 P1A Cs1 67.15(16) . 1_554
Cs1 P1A Cs1 99.14(5) 1_544 1_554
P1B P1A Cs1 124.2(10) . 3_756
O4 P1A Cs1 154.2(2) . 3_756
O5 P1A Cs1 80.32(15) 4 3_756
O5 P1A Cs1 80.32(15) . 3_756
O6 P1A Cs1 46.4(3) . 3_756
Cs1 P1A Cs1 96.19(4) 1_544 3_756
Cs1 P1A Cs1 96.19(4) 1_554 3_756
P1A P1B O5 82.7(9) . 4
P1A P1B O5 82.7(9) . .
O5 P1B O5 123.2(9) 4 .
P1A P1B O4 72.3(11) . .
O5 P1B O4 113.5(6) 4 .
O5 P1B O4 113.5(6) . .
P1A P1B O6 6.5(7) . .
O5 P1B O6 79.8(8) 4 .
O5 P1B O6 79.8(8) . .
O4 P1B O6 78.8(8) . .
P1A P1B Cs1 53.4(5) . 1_544
O5 P1B Cs1 60.2(5) 4 1_544
O5 P1B Cs1 136.1(10) . 1_544
O4 P1B Cs1 55.3(4) . 1_544
O6 P1B Cs1 56.9(3) . 1_544
P1A P1B Cs1 53.4(5) . 1_554
O5 P1B Cs1 136.1(10) 4 1_554
O5 P1B Cs1 60.2(5) . 1_554
O4 P1B Cs1 55.3(4) . 1_554
O6 P1B Cs1 56.9(3) . 1_554
Cs1 P1B Cs1 87.6(3) 1_544 1_554
P1A P1B Cs1 177.1(12) . 3_656
O5 P1B Cs1 95.9(8) 4 3_656
O5 P1B Cs1 95.9(8) . 3_656
O4 P1B Cs1 110.6(8) . 3_656
O6 P1B Cs1 170.6(5) . 3_656
Cs1 P1B Cs1 128.0(3) 1_544 3_656
Cs1 P1B Cs1 128.0(3) 1_554 3_656
O2 P2 O3 110.43(16) . 4_565
O2 P2 O3 110.43(16) . .
O3 P2 O3 108.7(2) 4_565 .
O2 P2 O1 103.8(2) . .
O3 P2 O1 111.72(15) 4_565 .
O3 P2 O1 111.72(15) . .
O2 P2 U1 52.34(17) . .
O3 P2 U1 125.67(12) 4_565 .
O3 P2 U1 125.67(12) . .
O1 P2 U1 51.49(17) . .
O2 P2 U1 73.89(8) . 3_766
O3 P2 U1 36.59(12) 4_565 3_766
O3 P2 U1 125.16(13) . 3_766
O1 P2 U1 120.24(4) . 3_766
U1 P2 U1 100.78(3) . 3_766
O2 P2 U1 73.89(8) . 3_756
O3 P2 U1 125.16(13) 4_565 3_756
O3 P2 U1 36.59(12) . 3_756
O1 P2 U1 120.24(4) . 3_756
U1 P2 U1 100.78(3) . 3_756
U1 P2 U1 116.12(4) 3_766 3_756
O2 P2 Cs1 133.47(18) . 1_655
O3 P2 Cs1 54.61(12) 4_565 1_655
O3 P2 Cs1 54.61(12) . 1_655
O1 P2 Cs1 122.71(18) . 1_655
U1 P2 Cs1 174.19(5) . 1_655
U1 P2 Cs1 82.18(3) 3_766 1_655
U1 P2 Cs1 82.18(3) 3_756 1_655
O2 P2 Cs1 122.27(9) . 3_756
O3 P2 Cs1 127.29(14) 4_565 3_756
O3 P2 Cs1 53.45(11) . 3_756
O1 P2 Cs1 58.28(8) . 3_756
U1 P2 Cs1 90.09(3) . 3_756
U1 P2 Cs1 163.81(5) 3_766 3_756
U1 P2 Cs1 72.869(11) 3_756 3_756
Cs1 P2 Cs1 86.00(3) 1_655 3_756
O2 P2 Cs1 122.27(9) . 3_766
O3 P2 Cs1 53.45(11) 4_565 3_766
O3 P2 Cs1 127.29(14) . 3_766
O1 P2 Cs1 58.28(8) . 3_766
U1 P2 Cs1 90.09(3) . 3_766
U1 P2 Cs1 72.869(11) 3_766 3_766
U1 P2 Cs1 163.81(5) 3_756 3_766
Cs1 P2 Cs1 86.00(3) 1_655 3_766
Cs1 P2 Cs1 95.36(3) 3_756 3_766
P2 O1 U1 98.5(2) . .
P2 O1 Cs1 98.13(11) . 3_766
U1 O1 Cs1 117.58(7) . 3_766
P2 O1 Cs1 98.13(11) . 3_756
U1 O1 Cs1 117.58(7) . 3_756
Cs1 O1 Cs1 118.75(13) 3_766 3_756
P2 O2 U1 98.1(2) . .
P2 O2 Cs1 168.9(2) . .
U1 O2 Cs1 92.99(14) . .
P2 O3 U1 119.94(18) . 3_756
P2 O3 Cs1 102.04(14) . 1_655
U1 O3 Cs1 118.01(11) 3_756 1_655
P2 O3 Cs1 103.66(14) . 3_756
U1 O3 Cs1 101.83(10) 3_756 3_756
Cs1 O3 Cs1 110.50(9) 1_655 3_756
P1A O4 P1B 26.1(7) . .
P1A O4 U1 151.6(3) . 3_655
P1B O4 U1 125.6(8) . 3_655
P1A O4 Cs1 88.10(14) . 1_554
P1B O4 Cs1 102.8(4) . 1_554
U1 O4 Cs1 107.45(9) 3_655 1_554
P1A O4 Cs1 88.10(14) . 1_544
P1B O4 Cs1 102.8(4) . 1_544
U1 O4 Cs1 107.45(9) 3_655 1_544
Cs1 O4 Cs1 110.34(13) 1_554 1_544
P1B O5 P1A 27.1(7) . .
P1B O5 U1 143.0(8) . .
P1A O5 U1 167.2(2) . .
P1B O5 Cs1 99.5(6) . 1_554
P1A O5 Cs1 82.48(14) . 1_554
U1 O5 Cs1 110.29(11) . 1_554
P1A O6 P1B 2.9(3) . .
P1A O6 Cs1 112.2(4) . 3_756
P1B O6 Cs1 109.2(4) . 3_756
P1A O6 Cs1 88.4(2) . 1_544
P1B O6 Cs1 90.0(2) . 1_544
Cs1 O6 Cs1 122.18(12) 3_756 1_544
P1A O6 Cs1 88.4(2) . 1_554
P1B O6 Cs1 90.0(2) . 1_554
Cs1 O6 Cs1 122.18(12) 3_756 1_554
Cs1 O6 Cs1 111.3(2) 1_544 1_554
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O5 2.261(3) .
U1 O5 2.261(3) 4_565
U1 O3 2.298(3) 2_756
U1 O3 2.298(3) 3_756
U1 O4 2.311(4) 3_655
U1 O1 2.427(4) .
U1 O2 2.453(4) .
U1 P2 3.0676(16) .
U1 P2 3.3397(8) 3_766
U1 P2 3.3397(8) 3_756
U1 Cs1 4.2783(5) .
U1 Cs1 4.6956(5) 3_656
Cs1 O6 3.053(7) 3_756
Cs1 O3 3.156(3) 1_455
Cs1 O3 3.156(3) 4_465
Cs1 O3 3.169(3) 3_756
Cs1 O3 3.169(3) 2_756
Cs1 O1 3.293(2) 3_766
Cs1 O1 3.293(2) 3_756
Cs1 O2 3.380(5) .
Cs1 O6 3.432(4) 1_566
Cs1 O6 3.432(4) 1_556
Cs1 O4 3.453(3) 1_556
Cs1 O4 3.453(3) 1_566
P1A P1B 0.698(18) .
P1A O4 1.512(5) .
P1A O5 1.518(3) 4
P1A O5 1.518(3) .
P1A O6 1.544(8) .
P1A Cs1 3.7231(14) 1_544
P1A Cs1 3.7231(14) 1_554
P1A Cs1 3.907(2) 3_756
P1B O5 1.440(7) 4
P1B O5 1.440(7) .
P1B O4 1.570(13) .
P1B O6 2.24(2) .
P1B Cs1 4.096(13) 1_544
P1B Cs1 4.096(13) 1_554
P1B Cs1 4.24(2) 3_656
P2 O2 1.530(5) .
P2 O3 1.535(3) 4_565
P2 O3 1.535(3) .
P2 O1 1.550(4) .
P2 U1 3.3396(8) 3_766
P2 U1 3.3396(8) 3_756
P2 Cs1 3.7861(16) 1_655
P2 Cs1 3.8330(11) 3_756
P2 Cs1 3.8330(11) 3_766
O1 Cs1 3.293(2) 3_766
O1 Cs1 3.293(2) 3_756
O3 U1 2.297(3) 3_756
O3 Cs1 3.156(3) 1_655
O3 Cs1 3.169(3) 3_756
O4 U1 2.311(4) 3_655
O4 Cs1 3.453(3) 1_554
O4 Cs1 3.453(3) 1_544
O5 Cs1 3.604(3) 1_554
O6 Cs1 3.053(7) 3_756
O6 Cs1 3.432(4) 1_544
O6 Cs1 3.432(4) 1_554
