#------------------------------------------------------------------------------
#$Date: 2015-06-05 06:02:54 +0300 (Fri, 05 Jun 2015) $
#$Revision: 138154 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/29/4342966.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_4342966
loop_
_publ_author_name
'Read, Cory M.'
'Gordon, Elijah E.'
'Smith, Mark D.'
'Yeon, Jeongho'
'Morrison, Gregory'
'Whangbo, Myung-Hwan'
'Zur Loye, Hans-Conrad'
_publ_section_title
;
 Synthesis of the Layered Quaternary Uranium-Containing Oxide Cs2Mn3U6O22
 and Characterization of its Magnetic Properties.
;
_journal_issue                   11
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5495
_journal_page_last               5503
_journal_paper_doi               10.1021/acs.inorgchem.5b00552
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         '0.5(Cs4.03 Mn6 O44 U12)'
_chemical_formula_sum            'Cs2.02 Mn3 O22 U6'
_chemical_formula_weight         2212.91
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-10-26
_audit_creation_method
;
  Olex2 1.1
  (compiled Nov  1 2011 20:42:30, GUI svn.r3906)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 99.673(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.8730(10)
_cell_length_b                   11.7717(17)
_cell_length_c                   13.374(2)
_cell_measurement_reflns_used    2053
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.701
_cell_measurement_theta_min      3.091
_cell_volume                     1066.7(3)
_computing_cell_refinement       'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_data_collection       'SMART Version 5.625 (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0654
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15527
_diffrn_reflns_theta_full        33.12
_diffrn_reflns_theta_max         33.12
_diffrn_reflns_theta_min         1.54
_diffrn_source                   'sealed tube'
_diffrn_source_current           38.0
_diffrn_source_power             1.786
_diffrn_source_target            Mo
_diffrn_source_voltage           47.0
_exptl_absorpt_coefficient_mu    50.565
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.274409
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS Version 2.05 (Bruker, 2001)'
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    6.890
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1828
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         5.970
_refine_diff_density_min         -4.350
_refine_diff_density_rms         0.549
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_matrix_type           full
_refine_ls_number_parameters     97
_refine_ls_number_reflns         2130
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0380
_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)+(0.0443P)²+12.4644P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0862
_refine_ls_wR_factor_ref         0.0899
_reflns_number_gt                1852
_reflns_number_total             2130
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b00552_si_002.cif
_cod_data_source_block           cr1105cs
_cod_depositor_comments          'Adding full bibliography for 4342966.cif.'
_cod_original_cell_volume        1066.6(3)
_cod_database_code               4342966
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z'
5 '-x, -y, -z'
6 'x, -y, z'
7 '-x+1/2, -y+1/2, -z'
8 'x+1/2, -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 0.41533(4) 0.17732(2) 0.20644(3) 0.01073(9) Uani 1 1 d .
U2 U 0.88297(6) 0.0000 0.20290(4) 0.01099(11) Uani 1 2 d S
Mn1 Mn 0.0000 0.15120(18) 0.0000 0.0232(4) Uani 1 2 d S
Mn2 Mn 0.5000 0.014(2) 0.0000 0.024(4) Uani 0.50 2 d SP
Cs1 Cs 0.8414(3) 0.15970(17) 0.49349(15) 0.0333(7) Uani 0.392(4) 1 d P
Cs2 Cs 0.6716(11) 0.0000 0.4957(4) 0.055(2) Uani 0.223(6) 2 d SP
O1 O 0.2447(9) 0.3345(5) 0.2265(6) 0.0171(13) Uani 1 1 d .
O2 O 1.0912(9) 0.1306(6) 0.1707(6) 0.0242(15) Uani 1 1 d .
O3 O 0.4354(12) 0.1522(6) 0.3402(7) 0.0276(17) Uani 1 1 d .
O4 O 0.3801(12) 0.1963(7) 0.0652(6) 0.0271(16) Uani 1 1 d .
O5 O 0.8145(13) 0.0000 0.0510(8) 0.0202(19) Uani 1 2 d S
O6 O 0.9744(16) 0.0000 0.3363(8) 0.026(2) Uani 1 2 d S
O7 O 0.4983(12) 0.0000 0.1671(8) 0.0189(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
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
U2 U1 U1 60.301(10) 3_455 8_455
Mn1 U1 U1 56.57(2) . 8_455
Mn1 U1 U1 90.587(18) 7 8_455
Mn1 U1 U2 55.87(3) 7 3_455
Mn1 U1 U2 92.19(3) . 3_455
Mn1 U1 Mn1 70.58(3) 7 .
Mn2 U1 U1 120.88(8) . 8_455
Mn2 U1 U2 123.8(4) . 3_455
Mn2 U1 Mn1 64.33(8) . .
Mn2 U1 Mn1 68.1(4) . 7
O1 U1 U1 156.19(15) 8 8_455
O1 U1 U1 30.86(16) . 8_455
O1 U1 U2 30.98(16) . 3_455
O1 U1 U2 96.86(14) 8 3_455
O1 U1 Mn1 78.45(19) . .
O1 U1 Mn1 137.3(2) 8 .
O1 U1 Mn1 80.42(18) 8 7
O1 U1 Mn1 77.27(19) . 7
O1 U1 Mn2 76.16(19) 8 .
O1 U1 Mn2 135.4(3) . .
O1 U1 O1 125.36(18) . 8
O1 U1 O2 73.1(2) . 1_455
O1 U1 O2 65.0(2) . 8_455
O1 U1 O2 161.5(2) 8 1_455
O1 U1 O2 65.9(2) 8 8_455
O1 U1 O7 71.3(3) 8 .
O1 U1 O7 163.1(3) . .
O2 U1 U1 42.28(18) 1_455 8_455
O2 U1 U1 93.16(13) 8_455 8_455
O2 U1 U2 34.08(14) 8_455 3_455
O2 U1 U2 100.75(18) 1_455 3_455
O2 U1 Mn1 36.9(2) 1_455 .
O2 U1 Mn1 105.0(2) 1_455 7
O2 U1 Mn1 39.91(18) 8_455 7
O2 U1 Mn1 105.03(16) 8_455 .
O2 U1 Mn2 89.3(2) 1_455 .
O2 U1 Mn2 100.7(4) 8_455 .
O2 U1 O2 129.2(2) 1_455 8_455
O3 U1 U1 89.5(2) . 8_455
O3 U1 U2 99.9(2) . 3_455
O3 U1 Mn1 131.4(3) . .
O3 U1 Mn1 151.0(3) . 7
O3 U1 Mn2 134.6(4) . .
O3 U1 O1 88.3(3) . .
O3 U1 O1 87.9(3) . 8
O3 U1 O2 111.1(3) . 8_455
O3 U1 O2 94.5(3) . 1_455
O3 U1 O4 176.1(3) . .
O3 U1 O7 95.7(4) . .
O4 U1 U1 89.0(3) . 8_455
O4 U1 U2 82.6(2) . 3_455
O4 U1 Mn1 45.1(3) . .
O4 U1 Mn1 32.8(2) . 7
O4 U1 Mn2 44.0(4) . .
O4 U1 O1 92.3(3) . .
O4 U1 O1 94.9(3) . 8
O4 U1 O2 72.7(3) . 8_455
O4 U1 O2 82.0(3) . 1_455
O4 U1 O7 82.6(3) . .
O7 U1 U1 132.5(2) . 8_455
O7 U1 U2 160.1(2) . 3_455
O7 U1 Mn1 86.7(2) . .
O7 U1 Mn1 105.4(2) . 7
O7 U1 Mn2 39.0(4) . .
O7 U1 O2 127.6(3) . 8_455
O7 U1 O2 90.2(3) . 1_455
Mn1 U2 U1 120.25(3) 5_655 8
Mn1 U2 U1 58.27(3) 1_655 8
Mn1 U2 Mn1 62.09(6) 5_655 1_655
Mn1 U2 Mn2 66.7(2) 5_655 5_655
Mn1 U2 Mn2 69.8(2) 1_655 5_655
Mn1 U2 Mn2 66.7(2) 1_655 .
Mn1 U2 Mn2 69.8(2) 5_655 .
Mn2 U2 U1 89.8(4) . 8
Mn2 U2 U1 95.4(4) 5_655 8
Mn2 U2 Mn2 5.6(9) 5_655 .
O1 U2 U1 31.26(16) 8 8
O1 U2 U1 154.50(16) 3_545 8
O1 U2 Mn1 79.65(19) 3_545 5_655
O1 U2 Mn1 136.7(2) 8 5_655
O1 U2 Mn1 79.66(19) 8 1_655
O1 U2 Mn1 136.7(2) 3_545 1_655
O1 U2 Mn2 77.3(4) 8 .
O1 U2 Mn2 82.3(4) 3_545 .
O1 U2 Mn2 82.3(4) 8 5_655
O1 U2 Mn2 77.3(4) 3_545 5_655
O1 U2 O1 123.3(3) 3_545 8
O1 U2 O7 65.13(17) 3_545 .
O1 U2 O7 65.13(17) 8 .
O2 U2 U1 131.59(18) 6 8
O2 U2 U1 42.57(18) . 8
O2 U2 Mn1 87.8(2) . 5_655
O2 U2 Mn1 40.3(2) 6 5_655
O2 U2 Mn1 40.3(2) . 1_655
O2 U2 Mn1 87.8(2) 6 1_655
O2 U2 Mn2 104.4(4) 6 5_655
O2 U2 Mn2 108.4(4) . 5_655
O2 U2 Mn2 104.4(4) . .
O2 U2 Mn2 108.4(4) 6 .
O2 U2 O1 73.8(2) . 8
O2 U2 O1 162.8(2) 6 8
O2 U2 O1 73.8(2) 6 3_545
O2 U2 O1 162.8(2) . 3_545
O2 U2 O2 89.1(4) 6 .
O2 U2 O7 129.8(2) . .
O2 U2 O7 129.8(2) 6 .
O5 U2 U1 90.907(17) . 8
O5 U2 Mn1 41.42(16) . 1_655
O5 U2 Mn1 41.42(16) . 5_655
O5 U2 Mn2 35.5(3) . 5_655
O5 U2 Mn2 35.5(3) . .
O5 U2 O1 96.4(2) . 8
O5 U2 O1 96.4(2) . 3_545
O5 U2 O2 81.4(3) . 6
O5 U2 O2 81.4(3) . .
O5 U2 O7 75.9(3) . .
O6 U2 U1 88.72(2) . 8
O6 U2 Mn1 134.0(2) . 5_655
O6 U2 Mn1 134.0(3) . 1_655
O6 U2 Mn2 151.3(4) . .
O6 U2 Mn2 151.3(4) . 5_655
O6 U2 O1 86.9(3) . 8
O6 U2 O1 86.9(3) . 3_545
O6 U2 O2 93.7(3) . .
O6 U2 O2 93.7(3) . 6
O6 U2 O5 173.1(4) . .
O6 U2 O7 111.0(4) . .
O7 U2 U1 93.305(7) . 8
O7 U2 Mn1 102.64(19) . 1_655
O7 U2 Mn1 102.64(19) . 5_655
O7 U2 Mn2 40.5(2) . 5_655
O7 U2 Mn2 40.5(2) . .
U1 Mn1 U1 110.61(6) 8_455 7
U2 Mn1 U1 65.862(12) 1_455 8_455
U2 Mn1 U1 174.92(4) 5_655 8_455
U2 Mn1 U1 174.92(4) 1_455 7
U2 Mn1 U1 65.862(13) 5_655 7
U2 Mn1 U2 117.91(6) 5_655 1_455
O2 Mn1 U1 48.21(18) 1_455 8_455
O2 Mn1 U1 141.99(18) 1_455 7
O2 Mn1 U1 141.99(18) 2_655 8_455
O2 Mn1 U1 48.21(18) 2_655 7
O2 Mn1 U2 38.53(16) 2_655 5_655
O2 Mn1 U2 132.23(18) 1_455 5_655
O2 Mn1 U2 38.53(16) 1_455 1_455
O2 Mn1 U2 132.23(18) 2_655 1_455
O2 Mn1 O2 167.7(4) 2_655 1_455
O2 Mn1 O4 116.0(2) 1_455 2
O2 Mn1 O4 66.6(2) 2_655 2
O2 Mn1 O4 66.6(2) 1_455 .
O2 Mn1 O4 116.0(2) 2_655 .
O2 Mn1 O5 72.6(3) 2_655 5_655
O2 Mn1 O5 98.0(3) 1_455 5_655
O2 Mn1 O5 72.6(3) 1_455 1_455
O2 Mn1 O5 98.0(3) 2_655 1_455
O4 Mn1 U1 88.0(2) 8_455 7
O4 Mn1 U1 82.02(17) 2 8_455
O4 Mn1 U1 27.3(2) 7 7
O4 Mn1 U1 27.3(2) 8_455 8_455
O4 Mn1 U1 84.94(17) 2 7
O4 Mn1 U1 82.02(17) . 7
O4 Mn1 U1 84.94(17) . 8_455
O4 Mn1 U1 88.0(2) 7 8_455
O4 Mn1 U2 151.5(2) 8_455 5_655
O4 Mn1 U2 87.5(2) 7 5_655
O4 Mn1 U2 90.85(17) 2 1_455
O4 Mn1 U2 90.85(17) . 5_655
O4 Mn1 U2 100.99(17) 2 5_655
O4 Mn1 U2 87.5(2) 8_455 1_455
O4 Mn1 U2 151.5(2) 7 1_455
O4 Mn1 U2 100.99(17) . 1_455
O4 Mn1 O2 115.1(3) 7 1_455
O4 Mn1 O2 115.1(3) 8_455 2_655
O4 Mn1 O2 75.5(3) 7 2_655
O4 Mn1 O2 75.5(3) 8_455 1_455
O4 Mn1 O4 157.0(3) . 2
O4 Mn1 O4 63.8(3) 8_455 2
O4 Mn1 O4 96.8(2) 7 2
O4 Mn1 O4 96.8(2) 8_455 .
O4 Mn1 O4 63.8(3) 7 .
O4 Mn1 O4 71.7(4) 8_455 7
O4 Mn1 O5 169.0(3) 8_455 5_655
O4 Mn1 O5 169.0(3) 7 1_455
O4 Mn1 O5 104.1(3) 8_455 1_455
O4 Mn1 O5 104.1(3) 7 5_655
O5 Mn1 U1 145.4(2) 5_655 8_455
O5 Mn1 U1 92.1(2) 1_455 8_455
O5 Mn1 U1 145.4(2) 1_455 7
O5 Mn1 U1 92.1(2) 5_655 7
O5 Mn1 U2 92.7(2) 5_655 1_455
O5 Mn1 U2 34.3(2) 1_455 1_455
O5 Mn1 U2 92.7(2) 1_455 5_655
O5 Mn1 U2 34.3(2) 5_655 5_655
O5 Mn1 O4 72.4(2) 1_455 2
O5 Mn1 O4 127.2(3) 5_655 2
O5 Mn1 O4 127.2(3) 1_455 .
O5 Mn1 O4 72.4(2) 5_655 .
O5 Mn1 O5 81.9(3) 1_455 5_655
U2 Mn2 U1 67.14(15) 5_655 2_655
U2 Mn2 U1 116.2(3) . 2_655
U2 Mn2 U2 174.4(9) 5_655 .
Mn2 Mn2 U1 123.4(4) 5_655 2_655
Mn2 Mn2 U2 87.2(4) 5_655 .
Mn2 Mn2 U2 87.2(4) 5_655 5_655
Mn2 Mn2 O4 27.6(3) 5_655 6
Mn2 Mn2 O4 148.8(4) 5_655 2_655
Mn2 Mn2 O4 148.8(4) 5_655 .
Mn2 Mn2 O4 27.6(3) 5_655 5_655
Mn2 Mn2 O5 85.6(7) 5_655 5_655
Mn2 Mn2 O5 85.6(7) 5_655 .
Mn2 Mn2 O7 85.7(7) 5_655 5_655
Mn2 Mn2 O7 85.7(7) 5_655 .
O4 Mn2 U1 85.0(7) . 2_655
O4 Mn2 U1 98.3(2) 5_655 2_655
O4 Mn2 U1 146.2(5) 6 2_655
O4 Mn2 U1 31.3(2) 2_655 2_655
O4 Mn2 U2 88.6(4) 5_655 .
O4 Mn2 U2 88.6(4) 6 5_655
O4 Mn2 U2 91.1(4) . .
O4 Mn2 U2 86.4(4) 5_655 5_655
O4 Mn2 U2 91.1(4) 2_655 5_655
O4 Mn2 U2 93.6(4) 2_655 .
O4 Mn2 U2 93.6(4) . 5_655
O4 Mn2 U2 86.4(4) 6 .
O4 Mn2 O4 121.2(3) 2_655 5_655
O4 Mn2 O4 121.2(3) . 6
O4 Mn2 O4 176.4(6) 2_655 6
O4 Mn2 O4 176.4(6) . 5_655
O4 Mn2 O4 55.2(6) 6 5_655
O4 Mn2 O4 62.3(7) . 2_655
O5 Mn2 U1 94.8(4) 5_655 2_655
O5 Mn2 U1 90.1(4) . 2_655
O5 Mn2 U2 32.7(3) . .
O5 Mn2 U2 146.5(3) . 5_655
O5 Mn2 U2 32.7(3) 5_655 5_655
O5 Mn2 U2 146.5(4) 5_655 .
O5 Mn2 O4 99.5(8) 5_655 5_655
O5 Mn2 O4 109.1(8) . .
O5 Mn2 O4 72.4(6) . 5_655
O5 Mn2 O4 99.5(8) . 6
O5 Mn2 O4 72.4(6) 5_655 6
O5 Mn2 O4 78.8(5) 5_655 .
O5 Mn2 O4 78.8(5) . 2_655
O5 Mn2 O4 109.1(8) 5_655 2_655
O5 Mn2 O5 171.1(14) 5_655 .
O5 Mn2 O7 97.8(4) 5_655 .
O5 Mn2 O7 97.8(4) . 5_655
O5 Mn2 O7 81.5(4) . .
O5 Mn2 O7 81.5(4) 5_655 5_655
O7 Mn2 U1 149.1(10) . 2_655
O7 Mn2 U1 39.1(3) 5_655 2_655
O7 Mn2 U2 49.0(2) . .
O7 Mn2 U2 130.4(3) 5_655 .
O7 Mn2 U2 49.0(2) 5_655 5_655
O7 Mn2 U2 130.4(3) . 5_655
O7 Mn2 O4 64.7(5) 5_655 5_655
O7 Mn2 O4 107.2(8) . 5_655
O7 Mn2 O4 64.7(5) . 6
O7 Mn2 O4 107.2(8) 5_655 6
O7 Mn2 O4 70.1(4) 5_655 2_655
O7 Mn2 O4 117.9(9) . 2_655
O7 Mn2 O4 70.1(4) . .
O7 Mn2 O4 117.9(9) 5_655 .
O7 Mn2 O7 171.4(13) 5_655 .
Cs1 Cs1 Cs1 120.60(10) 2_756 7_656
Cs1 Cs1 Cs1 148.62(10) 7_656 6
Cs1 Cs1 Cs1 90.0 2_756 6
Cs1 Cs1 Cs2 121.74(18) 2_756 .
Cs1 Cs1 Cs2 150.05(13) 7_656 5_756
Cs1 Cs1 Cs2 29.55(6) 2_756 5_756
Cs1 Cs1 Cs2 60.52(6) 6 5_756
Cs1 Cs1 O1 95.61(15) 2_756 8
Cs1 Cs1 O1 92.46(13) 7_656 8
Cs1 Cs1 O3 74.82(17) 2_756 8
Cs1 Cs1 O3 64.30(16) 7_656 7_656
Cs1 Cs1 O3 145.0(2) 2_756 .
Cs1 Cs1 O3 66.88(16) 7_656 8
Cs1 Cs1 O3 70.72(17) 7_656 .
Cs1 Cs1 O3 66.40(15) 2_756 7_656
Cs1 Cs1 O3 66.70(17) 7_656 2_656
Cs1 Cs1 O3 131.48(19) 2_756 2_656
Cs1 Cs1 O6 69.7(2) 2_756 5_756
Cs1 Cs1 O6 141.4(2) 7_656 .
Cs1 Cs1 O6 69.0(2) 2_756 .
Cs1 Cs1 O6 128.6(2) 7_656 5_756
Cs2 Cs1 Cs1 31.94(18) . 6
Cs2 Cs1 Cs1 116.8(2) . 7_656
Cs2 Cs1 Cs2 92.4(2) . 5_756
Cs2 Cs1 O1 91.15(19) . 8
Cs2 Cs1 O3 140.3(2) . 8
Cs2 Cs1 O3 65.6(2) . 2_656
Cs2 Cs1 O3 137.8(2) . 7_656
Cs2 Cs1 O3 65.0(2) . .
Cs2 Cs1 O6 67.8(2) . 5_756
Cs2 Cs1 O6 73.0(2) . .
O1 Cs1 Cs1 91.11(10) 8 6
O1 Cs1 Cs2 93.59(13) 8 5_756
O3 Cs1 Cs1 131.74(13) 7_656 6
O3 Cs1 Cs1 88.41(14) . 6
O3 Cs1 Cs1 88.41(15) 2_656 6
O3 Cs1 Cs1 134.53(15) 8 6
O3 Cs1 Cs2 95.51(17) 8 5_756
O3 Cs1 Cs2 125.92(18) 2_656 5_756
O3 Cs1 Cs2 132.86(17) . 5_756
O3 Cs1 Cs2 89.97(15) 7_656 5_756
O3 Cs1 O1 49.63(18) 8 8
O3 Cs1 O1 132.9(2) 2_656 8
O3 Cs1 O1 49.45(19) . 8
O3 Cs1 O1 130.75(18) 7_656 8
O3 Cs1 O3 135.02(13) . 7_656
O3 Cs1 O3 79.2(2) 2_656 7_656
O3 Cs1 O3 81.1(3) 8 7_656
O3 Cs1 O3 133.58(14) 8 2_656
O3 Cs1 O3 81.6(2) 8 .
O3 Cs1 O3 83.5(2) 2_656 .
O6 Cs1 Cs1 52.07(12) 5_756 6
O6 Cs1 Cs1 52.27(13) . 6
O6 Cs1 Cs2 50.6(2) . 5_756
O6 Cs1 Cs2 54.5(2) 5_756 5_756
O6 Cs1 O1 138.67(19) 5_756 8
O6 Cs1 O1 49.07(19) . 8
O6 Cs1 O3 82.4(2) . 8
O6 Cs1 O3 71.5(3) 5_756 2_656
O6 Cs1 O3 132.3(2) 5_756 .
O6 Cs1 O3 82.6(3) . .
O6 Cs1 O3 79.9(2) 5_756 7_656
O6 Cs1 O3 135.1(2) . 7_656
O6 Cs1 O3 144.1(2) 5_756 8
O6 Cs1 O3 138.4(2) . 2_656
O6 Cs1 O6 90.0(3) 5_756 .
Cs1 Cs2 Cs1 116.1(4) 6 .
Cs1 Cs2 Cs1 62.08(5) 5_756 4_646
Cs1 Cs2 Cs1 120.99(15) 2_756 4_646
Cs1 Cs2 Cs1 87.6(2) . 5_756
Cs1 Cs2 Cs1 28.71(13) 6 5_756
Cs1 Cs2 Cs1 58.95(12) 2_756 5_756
Cs1 Cs2 Cs1 28.71(13) . 2_756
Cs1 Cs2 Cs1 87.6(2) 6 2_756
Cs1 Cs2 Cs1 149.7(3) . 4_646
Cs1 Cs2 Cs1 33.67(11) 6 4_646
Cs1 Cs2 Cs2 121.93(18) . 5_656
Cs1 Cs2 Cs2 121.93(18) 6 5_656
Cs1 Cs2 O3 73.10(19) 6 6
Cs1 Cs2 O3 136.1(3) 6 .
Cs1 Cs2 O3 136.1(3) . 6
Cs1 Cs2 O3 73.10(19) . .
Cs1 Cs2 O3 72.50(18) 6 5_656
Cs1 Cs2 O3 135.0(3) . 5_656
Cs1 Cs2 O3 72.50(18) . 2_656
Cs1 Cs2 O3 135.0(3) 6 2_656
Cs1 Cs2 O6 69.5(2) . 5_756
Cs1 Cs2 O6 69.5(2) 6 5_756
Cs1 Cs2 O6 65.84(19) . .
Cs1 Cs2 O6 65.84(19) 6 .
Cs2 Cs2 Cs1 150.12(8) 5_656 2_756
Cs2 Cs2 Cs1 88.28(10) 5_656 4_646
Cs2 Cs2 Cs1 150.12(8) 5_656 5_756
Cs2 Cs2 O3 66.5(3) 5_656 5_656
Cs2 Cs2 O3 66.5(3) 5_656 2_656
Cs2 Cs2 O3 67.0(3) 5_656 6
Cs2 Cs2 O3 67.0(3) 5_656 .
Cs2 Cs2 O6 141.9(4) 5_656 .
Cs2 Cs2 O6 130.2(4) 5_656 5_756
O3 Cs2 Cs1 123.9(2) 2_656 4_646
O3 Cs2 Cs1 54.32(16) 6 4_646
O3 Cs2 Cs1 133.4(2) . 5_756
O3 Cs2 Cs1 127.4(2) . 4_646
O3 Cs2 Cs1 95.78(19) . 2_756
O3 Cs2 Cs1 51.03(16) 5_656 4_646
O3 Cs2 Cs1 133.4(3) 6 2_756
O3 Cs2 Cs1 125.7(2) 2_656 5_756
O3 Cs2 Cs1 95.78(18) 6 5_756
O3 Cs2 Cs1 89.97(18) 2_656 2_756
O3 Cs2 Cs1 125.7(2) 5_656 2_756
O3 Cs2 Cs1 89.97(18) 5_656 5_756
O3 Cs2 O3 73.2(3) . 6
O3 Cs2 O3 72.8(3) 2_656 5_656
O3 Cs2 O3 88.8(3) 6 5_656
O3 Cs2 O3 133.4(3) . 5_656
O3 Cs2 O3 88.8(3) . 2_656
O3 Cs2 O3 133.4(3) 6 2_656
O3 Cs2 O6 74.0(3) 2_656 5_756
O3 Cs2 O6 142.02(19) 6 5_756
O3 Cs2 O6 138.2(2) 2_656 .
O3 Cs2 O6 138.2(2) 5_656 .
O3 Cs2 O6 74.0(3) 5_656 5_756
O3 Cs2 O6 82.9(2) . .
O3 Cs2 O6 142.02(19) . 5_756
O3 Cs2 O6 82.9(2) 6 .
O6 Cs2 Cs1 89.62(8) 5_756 4_646
O6 Cs2 Cs1 50.62(17) . 5_756
O6 Cs2 Cs1 51.8(2) 5_756 2_756
O6 Cs2 Cs1 92.55(10) . 4_646
O6 Cs2 Cs1 51.8(2) 5_756 5_756
O6 Cs2 Cs1 50.62(17) . 2_756
O6 Cs2 O6 87.9(3) 5_756 .
U1 O1 U1 118.4(3) . 8_455
U1 O1 Cs1 97.1(2) . 8_455
U1 O1 Cs1 97.9(2) 8_455 8_455
U2 O1 U1 117.8(3) 3_455 .
U2 O1 U1 119.2(3) 3_455 8_455
U2 O1 Cs1 96.6(2) 3_455 8_455
U1 O2 U1 102.5(3) 1_655 8
U1 O2 Mn1 106.3(3) 1_655 1_655
U2 O2 U1 103.3(2) . 8
U2 O2 U1 141.3(4) . 1_655
U2 O2 Mn1 101.1(3) . 1_655
Mn1 O2 U1 91.9(2) 1_655 8
U1 O3 Cs1 123.4(4) . .
U1 O3 Cs1 120.4(3) . 7_656
U1 O3 Cs1 122.8(3) . 8_455
U1 O3 Cs1 137.9(4) . 2_656
U1 O3 Cs2 146.6(4) . 5_656
U1 O3 Cs2 136.8(4) . .
Cs1 O3 Cs1 38.78(12) 8_455 7_656
Cs1 O3 Cs1 44.98(13) . 7_656
Cs1 O3 Cs1 46.42(14) 8_455 2_656
Cs1 O3 Cs1 77.02(19) 2_656 7_656
Cs1 O3 Cs1 79.3(2) 8_455 .
Cs1 O3 Cs1 96.5(2) 2_656 .
Cs2 O3 Cs1 80.9(2) 5_656 .
Cs2 O3 Cs1 41.89(15) . .
Cs2 O3 Cs1 41.94(16) 5_656 2_656
Cs2 O3 Cs1 81.3(2) . 2_656
Cs2 O3 Cs1 78.4(2) . 7_656
Cs2 O3 Cs1 92.9(2) 5_656 7_656
Cs2 O3 Cs1 96.6(3) . 8_455
Cs2 O3 Cs1 81.0(2) 5_656 8_455
Cs2 O3 Cs2 46.6(3) . 5_656
U1 O4 Mn1 120.0(4) . 7
U1 O4 Mn1 105.0(3) . .
U1 O4 Mn2 104.7(4) . .
Mn1 O4 Mn1 116.2(3) 7 .
Mn1 O4 Mn2 113.0(4) 7 .
Mn2 O4 Mn1 94.4(3) . .
U2 O5 Mn1 104.3(3) . 1_655
U2 O5 Mn1 104.3(3) . 5_655
U2 O5 Mn2 111.8(4) . .
U2 O5 Mn2 111.8(4) . 5_655
Mn1 O5 Mn1 98.1(3) 1_655 5_655
Mn2 O5 Mn1 121.9(7) 5_655 1_655
Mn2 O5 Mn1 114.3(7) . 1_655
Mn2 O5 Mn1 121.9(7) . 5_655
Mn2 O5 Mn1 114.3(7) 5_655 5_655
Mn2 O5 Mn2 8.9(14) 5_655 .
U2 O6 Cs1 140.76(18) . 2_756
U2 O6 Cs1 126.0(3) . 6
U2 O6 Cs1 140.76(18) . 5_756
U2 O6 Cs1 126.0(3) . .
U2 O6 Cs2 120.2(5) . .
U2 O6 Cs2 147.7(6) . 5_756
Cs1 O6 Cs1 90.0(3) 5_756 .
Cs1 O6 Cs1 41.22(13) 2_756 .
Cs1 O6 Cs1 75.9(2) 2_756 5_756
Cs1 O6 Cs1 90.0(3) 2_756 6
Cs1 O6 Cs1 41.22(13) 5_756 6
Cs1 O6 Cs1 75.5(3) . 6
Cs1 O6 Cs2 74.9(2) 5_756 .
Cs1 O6 Cs2 74.9(2) 2_756 .
Cs1 O6 Cs2 41.14(15) . .
Cs1 O6 Cs2 41.14(15) 6 .
Cs2 O6 Cs1 77.6(3) 5_756 .
Cs2 O6 Cs1 77.6(3) 5_756 6
Cs2 O6 Cs1 42.73(15) 5_756 2_756
Cs2 O6 Cs1 42.73(15) 5_756 5_756
Cs2 O6 Cs2 92.1(3) 5_756 .
U1 O7 U1 136.3(4) . 6
U1 O7 U2 104.3(2) 6 .
U1 O7 U2 104.3(2) . .
Mn2 O7 U1 102.0(7) . .
Mn2 O7 U1 102.0(7) 5_655 6
Mn2 O7 U1 110.2(7) . 6
Mn2 O7 U1 110.2(7) 5_655 .
Mn2 O7 U2 90.5(3) 5_655 .
Mn2 O7 U2 90.5(3) . .
Mn2 O7 Mn2 8.6(13) 5_655 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O1 2.238(6) 8
U1 O1 2.231(6) .
U1 O2 2.646(7) 8_455
U1 O2 2.266(6) 1_455
U1 O3 1.795(9) .
U1 O4 1.877(8) .
U1 O7 2.249(4) .
U2 O1 2.213(6) 3_545
U2 O1 2.213(6) 8
U2 O2 2.191(7) 6
U2 O2 2.191(7) .
U2 O5 2.007(10) .
U2 O6 1.788(11) .
U2 O7 2.606(8) .
Mn1 O2 2.277(8) 1_455
Mn1 O2 2.277(8) 2_655
Mn1 O4 2.214(8) 7
Mn1 O4 2.665(8) .
Mn1 O4 2.665(8) 2
Mn1 O4 2.214(8) 8_455
Mn1 O5 2.356(6) 5_655
Mn1 O5 2.356(6) 1_455
Mn2 O4 2.80(2) 5_655
Mn2 O4 2.51(2) .
Mn2 O4 2.51(2) 2_655
Mn2 O4 2.80(2) 6
Mn2 O5 2.161(9) 5_655
Mn2 O5 2.161(9) .
Mn2 O7 2.243(11) 5_655
Mn2 O7 2.243(11) .
Cs1 O1 3.522(8) 8
Cs1 O3 3.161(8) 2_656
Cs1 O3 3.157(8) 8
Cs1 O3 3.325(9) 7_656
Cs1 O3 3.174(9) .
Cs1 O6 3.072(9) .
Cs1 O6 3.058(8) 5_756
Cs2 O3 3.007(9) 6
Cs2 O3 3.018(10) 2_656
Cs2 O3 3.018(10) 5_656
Cs2 O3 3.007(9) .
Cs2 O6 3.220(13) .
Cs2 O6 3.022(12) 5_756
O1 U1 2.238(6) 8_455
O1 U2 2.213(6) 3_455
O1 Cs1 3.522(8) 8_455
O2 U1 2.266(6) 1_655
O2 U1 2.646(7) 8
O2 Mn1 2.276(8) 1_655
O3 Cs1 3.157(8) 8_455
O3 Cs1 3.325(9) 7_656
O3 Cs1 3.161(8) 2_656
O3 Cs2 3.018(10) 5_656
O4 Mn1 2.214(8) 7
O5 Mn1 2.356(6) 1_655
O5 Mn1 2.356(6) 5_655
O5 Mn2 2.161(9) 5_655
O6 Cs1 3.058(8) 2_756
O6 Cs1 3.072(9) 6
O6 Cs1 3.058(8) 5_756
O6 Cs2 3.022(12) 5_756
O7 U1 2.249(4) 6
O7 Mn2 2.243(11) 5_655
