# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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data_Cs2Na(UO)2Si4O12
_database_code_depnum_ccdc_archive 'CCDC 1851839'
_audit_update_record             
;
2018-06-26 deposited with the CCDC.
2018-10-24 downloaded from the CCDC.
;
_audit_creation_date             2018-06-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(Cs4 Na2 O28 Si8 U4)'
_chemical_formula_sum            'Cs2 Na O14 Si4 U2'
_chemical_formula_weight         1101.23
_chemical_melting_point          ?
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'
Na Na 0.0362 0.0249 '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'
Si Si 0.0817 0.0704 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           65
_space_group_name_H-M_alt        'C m m m'
_space_group_name_Hall           '-C 2 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'

_cell_length_a                   8.3837(3)
_cell_length_b                   11.4748(4)
_cell_length_c                   7.4900(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     720.55(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9891
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      36.27
_cell_measurement_theta_min      2.72
_shelx_estimated_absorpt_T_max   0.749
_shelx_estimated_absorpt_T_min   0.315
_exptl_absorpt_coefficient_mu    27.860
_exptl_absorpt_correction_T_max  0.2740
_exptl_absorpt_correction_T_min  0.1591
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1264 before and 0.0499 after correction.
The Ratio of minimum to maximum transmission is 0.5807.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    5.076
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       tablet
_exptl_crystal_F_000             946
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.054
_exptl_crystal_size_mid          0.051
_exptl_crystal_size_min          0.011
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_unetI/netI     0.0097
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            30032
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.499
_diffrn_reflns_theta_min         2.719
_diffrn_ambient_temperature      300.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                769
_reflns_number_total             770
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.734
_refine_diff_density_min         -1.905
_refine_diff_density_rms         0.161
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.207
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     49
_refine_ls_number_reflns         770
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0110
_refine_ls_R_factor_gt           0.0110
_refine_ls_restrained_S_all      1.207
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0022P)²+7.1511P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0284
_refine_ls_wR_factor_ref         0.0284
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(O1) = Uanis(O2)
2. Others
 Sof(O2)=1-FVAR(1)
 Sof(O1)=FVAR(1)
 Fixed Sof: O3(0.25) O4(0.25) O5(0.25)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.2500 0.2500 0.0000 0.00682(5) Uani 1 4 d S T P . .
Cs1 Cs 0.5000 0.28521(3) 0.5000 0.01770(7) Uani 1 4 d S T P . .
Si1 Si 0.81128(10) 0.5000 0.29284(11) 0.00674(14) Uani 1 2 d S T P . .
Na1 Na 0.5000 0.5000 0.0000 0.0214(7) Uani 1 8 d S T P . .
O2 O 0.7162(4) 0.5938(3) 0.1753(5) 0.0143(5) Uani 0.517(4) 1 d . . . . .
O3 O 1.0000 0.4708(4) 0.2896(7) 0.0141(10) Uani 0.5 2 d S T P . .
O1 O 0.7777(5) 0.6324(3) 0.2348(5) 0.0143(5) Uani 0.483(4) 1 d . . . . .
O4 O 0.5000 0.2617(5) -0.0458(7) 0.0225(12) Uani 0.5 2 d S T P . .
O5 O 0.7529(6) 0.5158(11) 0.5000 0.014(3) Uani 0.5 2 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
U1 O2 2.239(3) 14_445 ?
U1 O2 2.239(3) 9_665 ?
U1 O2 2.239(3) 2_665 ?
U1 O2 2.239(3) 5_445 ?
U1 O1 2.229(3) 14_445 ?
U1 O1 2.229(3) 9_665 ?
U1 O1 2.229(3) 2_665 ?
U1 O1 2.229(3) 5_445 ?
U1 O4 2.1280(10) 10 ?
U1 O4 2.1280(10) . ?
U1 O4 2.1280(10) 6 ?
U1 O4 2.1280(10) 13 ?
Cs1 O3 3.334(5) 13_656 ?
Cs1 O3 3.334(5) 6_655 ?
Cs1 O1 3.239(4) 16_645 ?
Cs1 O1 3.203(4) 2_665 ?
Cs1 O1 3.239(4) 7_646 ?
Cs1 O1 3.239(4) 14_446 ?
Cs1 O1 3.203(4) 9_666 ?
Cs1 O1 3.239(4) 5_445 ?
Cs1 O1 3.203(4) 4_566 ?
Cs1 O1 3.203(4) 11_565 ?
Cs1 O5 3.116(10) 9_666 ?
Cs1 O5 3.116(10) 11_565 ?
Si1 Cs1 3.9524(6) 5 ?
Si1 Cs1 3.9106(7) 9_666 ?
Si1 Na1 3.4090(8) . ?
Si1 O2 1.603(3) . ?
Si1 O2 1.603(3) 11_565 ?
Si1 O3 1.6174(13) . ?
Si1 O3 1.6174(13) 2_765 ?
Si1 O1 1.605(4) . ?
Si1 O1 1.605(4) 11_565 ?
Si1 O5 1.637(2) . ?
Si1 O5 1.637(2) 11_565 ?
Na1 O2 2.484(4) 9_665 ?
Na1 O2 2.484(4) 2_665 ?
Na1 O2 2.484(4) . ?
Na1 O2 2.484(4) 11_565 ?
Na1 O2 2.484(4) 4_565 ?
Na1 O2 2.484(4) 3_655 ?
Na1 O2 2.484(4) 10 ?
Na1 O2 2.484(4) 12_655 ?
Na1 O4 2.756(6) . ?
Na1 O4 2.756(6) 10 ?
Na1 O4 2.756(6) 2_665 ?
Na1 O4 2.756(6) 9_665 ?
O2 U1 2.239(3) 5 ?
O2 Cs1 3.336(4) 9_666 ?
O2 O1 0.812(5) . ?
O3 Cs1 3.334(5) 13_656 ?
O3 Si1 1.6174(13) 2_765 ?
O3 O3 0.669(9) 2_765 ?
O1 U1 2.229(3) 5 ?
O1 Cs1 3.203(4) 9_666 ?
O1 Cs1 3.239(4) 5 ?
O4 U1 2.1280(10) 3_655 ?
O4 Cs1 3.413(5) 1_554 ?
O4 O4 0.686(11) 10 ?
O5 Cs1 3.116(10) 9_666 ?
O5 Cs1 3.721(11) 5 ?
O5 Si1 1.637(2) 10_556 ?
O5 O5 0.36(3) 11_565 ?

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
_geom_angle_publ_flag
O2 U1 O2 180.00(11) 5_445 9_665 ?
O2 U1 O2 108.21(19) 2_665 5_445 ?
O2 U1 O2 71.79(19) 14_445 5_445 ?
O2 U1 O2 180.00(17) 14_445 2_665 ?
O2 U1 O2 71.79(19) 2_665 9_665 ?
O2 U1 O2 108.21(19) 14_445 9_665 ?
O1 U1 O2 89.51(14) 9_665 2_665 ?
O1 U1 O2 159.05(13) 14_445 2_665 ?
O1 U1 O2 20.95(12) 2_665 2_665 ?
O1 U1 O2 90.49(14) 5_445 2_665 ?
O1 U1 O2 89.51(14) 2_665 9_665 ?
O1 U1 O2 159.05(12) 2_665 14_445 ?
O1 U1 O2 89.51(14) 5_445 14_445 ?
O1 U1 O2 159.05(13) 5_445 9_665 ?
O1 U1 O2 90.49(14) 14_445 9_665 ?
O1 U1 O2 90.49(14) 9_665 14_445 ?
O1 U1 O2 20.95(12) 9_665 9_665 ?
O1 U1 O2 159.05(12) 9_665 5_445 ?
O1 U1 O2 20.95(13) 5_445 5_445 ?
O1 U1 O2 89.51(14) 14_445 5_445 ?
O1 U1 O2 90.49(14) 2_665 5_445 ?
O1 U1 O2 20.95(12) 14_445 14_445 ?
O1 U1 O1 104.2(2) 14_445 5_445 ?
O1 U1 O1 104.2(2) 2_665 9_665 ?
O1 U1 O1 75.8(2) 14_445 9_665 ?
O1 U1 O1 75.8(2) 2_665 5_445 ?
O1 U1 O1 180.00(18) 9_665 5_445 ?
O1 U1 O1 180.0(2) 14_445 2_665 ?
O4 U1 O2 94.60(17) . 14_445 ?
O4 U1 O2 85.40(17) 13 14_445 ?
O4 U1 O2 74.38(18) 6 14_445 ?
O4 U1 O2 105.62(18) . 5_445 ?
O4 U1 O2 94.60(17) 10 5_445 ?
O4 U1 O2 85.40(17) 10 9_665 ?
O4 U1 O2 74.38(18) 13 5_445 ?
O4 U1 O2 105.62(18) 13 9_665 ?
O4 U1 O2 105.62(18) 10 14_445 ?
O4 U1 O2 74.38(18) 10 2_665 ?
O4 U1 O2 94.60(17) 6 9_665 ?
O4 U1 O2 105.62(18) 6 2_665 ?
O4 U1 O2 74.38(18) . 9_665 ?
O4 U1 O2 94.60(17) 13 2_665 ?
O4 U1 O2 85.40(17) . 2_665 ?
O4 U1 O2 85.40(17) 6 5_445 ?
O4 U1 O1 86.41(18) 10 2_665 ?
O4 U1 O1 86.41(18) 13 5_445 ?
O4 U1 O1 86.41(18) . 9_665 ?
O4 U1 O1 93.59(18) 6 2_665 ?
O4 U1 O1 78.94(18) 6 9_665 ?
O4 U1 O1 78.94(18) 13 2_665 ?
O4 U1 O1 78.94(18) . 14_445 ?
O4 U1 O1 101.06(18) . 2_665 ?
O4 U1 O1 101.06(18) 10 9_665 ?
O4 U1 O1 78.94(18) 10 5_445 ?
O4 U1 O1 93.59(18) 13 9_665 ?
O4 U1 O1 101.06(18) 13 14_445 ?
O4 U1 O1 93.59(18) 10 14_445 ?
O4 U1 O1 93.59(18) . 5_445 ?
O4 U1 O1 101.06(18) 6 5_445 ?
O4 U1 O1 86.41(18) 6 14_445 ?
O4 U1 O4 180.0(3) 10 6 ?
O4 U1 O4 161.4(3) 6 . ?
O4 U1 O4 18.6(3) 10 . ?
O4 U1 O4 161.4(3) 10 13 ?
O4 U1 O4 180.0 13 . ?
O4 U1 O4 18.6(3) 6 13 ?
O3 Cs1 O3 56.41(18) 6_655 13_656 ?
O1 Cs1 O3 39.93(8) 14_446 13_656 ?
O1 Cs1 O3 39.93(8) 16_645 6_655 ?
O1 Cs1 O3 123.59(8) 2_665 13_656 ?
O1 Cs1 O3 79.21(9) 5_445 13_656 ?
O1 Cs1 O3 79.21(9) 14_446 6_655 ?
O1 Cs1 O3 39.93(8) 7_646 13_656 ?
O1 Cs1 O3 88.11(9) 9_666 13_656 ?
O1 Cs1 O3 123.59(8) 4_566 6_655 ?
O1 Cs1 O3 79.21(9) 7_646 6_655 ?
O1 Cs1 O3 88.11(9) 2_665 6_655 ?
O1 Cs1 O3 88.11(9) 4_566 13_656 ?
O1 Cs1 O3 88.11(9) 11_565 6_655 ?
O1 Cs1 O3 123.59(8) 11_565 13_656 ?
O1 Cs1 O3 123.59(8) 9_666 6_655 ?
O1 Cs1 O3 39.93(8) 5_445 6_655 ?
O1 Cs1 O3 79.21(9) 16_645 13_656 ?
O1 Cs1 O1 101.40(11) 9_666 7_646 ?
O1 Cs1 O1 101.40(11) 2_665 16_645 ?
O1 Cs1 O1 163.38(8) 4_566 5_445 ?
O1 Cs1 O1 114.46(12) 5_445 7_646 ?
O1 Cs1 O1 50.31(12) 4_566 7_646 ?
O1 Cs1 O1 75.64(13) 16_645 7_646 ?
O1 Cs1 O1 97.00(9) 9_666 5_445 ?
O1 Cs1 O1 93.25(14) 2_665 11_565 ?
O1 Cs1 O1 163.38(8) 9_666 16_645 ?
O1 Cs1 O1 93.25(14) 4_566 9_666 ?
O1 Cs1 O1 97.00(9) 11_565 7_646 ?
O1 Cs1 O1 163.38(8) 11_565 14_446 ?
O1 Cs1 O1 50.31(12) 2_665 5_445 ?
O1 Cs1 O1 50.31(12) 9_666 14_446 ?
O1 Cs1 O1 97.00(9) 4_566 16_645 ?
O1 Cs1 O1 75.64(13) 5_445 14_446 ?
O1 Cs1 O1 50.31(12) 11_565 16_645 ?
O1 Cs1 O1 114.46(12) 16_645 14_446 ?
O1 Cs1 O1 70.25(13) 5_445 16_645 ?
O1 Cs1 O1 70.25(13) 7_646 14_446 ?
O1 Cs1 O1 76.65(13) 4_566 11_565 ?
O1 Cs1 O1 76.65(13) 2_665 9_666 ?
O1 Cs1 O1 145.67(13) 11_565 9_666 ?
O1 Cs1 O1 101.40(11) 4_566 14_446 ?
O1 Cs1 O1 145.67(13) 4_566 2_665 ?
O1 Cs1 O1 97.00(9) 2_665 14_446 ?
O1 Cs1 O1 163.38(8) 2_665 7_646 ?
O1 Cs1 O1 101.40(11) 11_565 5_445 ?
O5 Cs1 O3 130.22(14) 11_565 6_655 ?
O5 Cs1 O3 130.22(14) 9_666 13_656 ?
O5 Cs1 O3 130.22(14) 9_666 6_655 ?
O5 Cs1 O3 130.22(14) 11_565 13_656 ?
O5 Cs1 O1 142.01(7) 9_666 7_646 ?
O5 Cs1 O1 90.29(15) 9_666 14_446 ?
O5 Cs1 O1 106.17(15) 9_666 4_566 ?
O5 Cs1 O1 142.01(7) 11_565 5_445 ?
O5 Cs1 O1 90.29(15) 11_565 16_645 ?
O5 Cs1 O1 90.29(15) 9_666 5_445 ?
O5 Cs1 O1 90.29(15) 11_565 7_646 ?
O5 Cs1 O1 44.69(10) 11_565 11_565 ?
O5 Cs1 O1 44.69(10) 11_565 4_566 ?
O5 Cs1 O1 106.17(15) 9_666 11_565 ?
O5 Cs1 O1 142.01(7) 9_666 16_645 ?
O5 Cs1 O1 106.17(15) 11_565 2_665 ?
O5 Cs1 O1 44.69(10) 9_666 9_666 ?
O5 Cs1 O1 44.69(10) 9_666 2_665 ?
O5 Cs1 O1 142.01(7) 11_565 14_446 ?
O5 Cs1 O1 106.17(15) 11_565 9_666 ?
O5 Cs1 O5 85.8(3) 11_565 9_666 ?
Cs1 Si1 Cs1 78.139(18) . 9_666 ?
Cs1 Si1 Cs1 65.763(7) 9_666 5 ?
Cs1 Si1 Cs1 129.29(2) . 5 ?
Na1 Si1 Cs1 75.193(15) . 9_666 ?
Na1 Si1 Cs1 75.193(15) . . ?
Na1 Si1 Cs1 123.989(11) . 5 ?
O2 Si1 Cs1 108.04(14) . . ?
O2 Si1 Cs1 81.85(13) . 5 ?
O2 Si1 Cs1 108.04(14) 11_565 9_666 ?
O2 Si1 Cs1 166.13(14) 11_565 5 ?
O2 Si1 Cs1 57.51(13) . 9_666 ?
O2 Si1 Cs1 57.51(13) 11_565 . ?
O2 Si1 Na1 42.79(14) 11_565 . ?
O2 Si1 Na1 42.79(14) . . ?
O2 Si1 O2 84.4(3) . 11_565 ?
O2 Si1 O3 128.1(2) . . ?
O2 Si1 O3 109.8(2) . 2_765 ?
O2 Si1 O3 128.1(2) 11_565 2_765 ?
O2 Si1 O3 109.8(2) 11_565 . ?
O2 Si1 O1 113.6(2) . 11_565 ?
O2 Si1 O1 29.34(17) . . ?
O2 Si1 O1 29.34(17) 11_565 11_565 ?
O2 Si1 O1 113.6(2) 11_565 . ?
O2 Si1 O5 107.3(4) . . ?
O2 Si1 O5 107.3(4) 11_565 11_565 ?
O2 Si1 O5 116.5(4) 11_565 . ?
O2 Si1 O5 116.5(4) . 11_565 ?
O3 Si1 Cs1 121.89(17) . . ?
O3 Si1 Cs1 142.11(17) . 9_666 ?
O3 Si1 Cs1 77.62(16) . 5 ?
O3 Si1 Cs1 142.11(17) 2_765 . ?
O3 Si1 Cs1 56.14(17) 2_765 5 ?
O3 Si1 Cs1 121.89(17) 2_765 9_666 ?
O3 Si1 Na1 137.67(19) 2_765 . ?
O3 Si1 Na1 137.67(19) . . ?
O3 Si1 O3 23.9(3) 2_765 . ?
O3 Si1 O5 109.2(3) . . ?
O3 Si1 O5 106.5(3) . 11_565 ?
O3 Si1 O5 106.5(3) 2_765 . ?
O3 Si1 O5 109.2(3) 2_765 11_565 ?
O1 Si1 Cs1 52.69(14) . 9_666 ?
O1 Si1 Cs1 163.79(15) 11_565 5 ?
O1 Si1 Cs1 52.61(14) . 5 ?
O1 Si1 Cs1 125.94(15) 11_565 9_666 ?
O1 Si1 Cs1 125.94(15) . . ?
O1 Si1 Cs1 52.69(14) 11_565 . ?
O1 Si1 Na1 72.03(14) . . ?
O1 Si1 Na1 72.03(14) 11_565 . ?
O1 Si1 O3 88.4(2) . 2_765 ?
O1 Si1 O3 88.4(2) 11_565 . ?
O1 Si1 O3 111.3(2) 11_565 2_765 ?
O1 Si1 O3 111.3(2) . . ?
O1 Si1 O1 142.4(3) . 11_565 ?
O1 Si1 O5 108.0(5) . 11_565 ?
O1 Si1 O5 95.7(5) . . ?
O1 Si1 O5 95.7(5) 11_565 11_565 ?
O1 Si1 O5 108.0(5) 11_565 . ?
O5 Si1 Cs1 49.8(4) 11_565 . ?
O5 Si1 Cs1 80.8(4) 11_565 5 ?
O5 Si1 Cs1 49.8(4) . 9_666 ?
O5 Si1 Cs1 59.6(4) . . ?
O5 Si1 Cs1 69.8(4) . 5 ?
O5 Si1 Cs1 59.6(4) 11_565 9_666 ?
O5 Si1 Na1 112.40(17) 11_565 . ?
O5 Si1 Na1 112.40(17) . . ?
O5 Si1 O5 12.8(9) . 11_565 ?
O2 Na1 O2 93.75(16) 12_655 . ?
O2 Na1 O2 86.25(16) 3_655 2_665 ?
O2 Na1 O2 86.25(16) 9_665 12_655 ?
O2 Na1 O2 128.62(15) 3_655 . ?
O2 Na1 O2 93.75(16) 9_665 4_565 ?
O2 Na1 O2 93.75(16) 11_565 2_665 ?
O2 Na1 O2 63.82(16) 3_655 12_655 ?
O2 Na1 O2 180.0 10 2_665 ?
O2 Na1 O2 128.62(15) 2_665 4_565 ?
O2 Na1 O2 63.82(16) 10 . ?
O2 Na1 O2 180.0 9_665 . ?
O2 Na1 O2 128.62(15) 10 12_655 ?
O2 Na1 O2 51.38(15) 2_665 12_655 ?
O2 Na1 O2 63.82(16) 11_565 4_565 ?
O2 Na1 O2 63.82(16) 9_665 2_665 ?
O2 Na1 O2 51.38(15) 10 4_565 ?
O2 Na1 O2 180.0 11_565 3_655 ?
O2 Na1 O2 180.0 12_655 4_565 ?
O2 Na1 O2 116.18(16) 9_665 10 ?
O2 Na1 O2 51.38(15) 11_565 . ?
O2 Na1 O2 86.25(16) 11_565 10 ?
O2 Na1 O2 93.75(16) 3_655 10 ?
O2 Na1 O2 116.18(16) 2_665 . ?
O2 Na1 O2 116.18(16) 11_565 12_655 ?
O2 Na1 O2 86.25(16) 4_565 . ?
O2 Na1 O2 128.62(15) 9_665 11_565 ?
O2 Na1 O2 51.38(15) 9_665 3_655 ?
O2 Na1 O2 116.18(16) 3_655 4_565 ?
O2 Na1 O4 68.63(10) 11_565 . ?
O2 Na1 O4 60.27(10) 11_565 10 ?
O2 Na1 O4 119.73(10) 11_565 2_665 ?
O2 Na1 O4 111.37(10) 3_655 . ?
O2 Na1 O4 111.37(10) 12_655 10 ?
O2 Na1 O4 111.37(10) 10 . ?
O2 Na1 O4 68.63(10) 12_655 2_665 ?
O2 Na1 O4 68.63(10) 2_665 . ?
O2 Na1 O4 119.73(10) 10 10 ?
O2 Na1 O4 119.73(10) 12_655 . ?
O2 Na1 O4 111.37(10) . 10 ?
O2 Na1 O4 60.27(10) 4_565 . ?
O2 Na1 O4 60.27(10) 10 2_665 ?
O2 Na1 O4 119.73(10) . . ?
O2 Na1 O4 60.27(10) 9_665 . ?
O2 Na1 O4 119.73(10) 9_665 9_665 ?
O2 Na1 O4 119.73(10) 3_655 10 ?
O2 Na1 O4 111.37(10) 11_565 9_665 ?
O2 Na1 O4 60.27(10) 2_665 10 ?
O2 Na1 O4 68.63(10) 3_655 9_665 ?
O2 Na1 O4 68.63(10) 4_565 10 ?
O2 Na1 O4 68.63(10) 10 9_665 ?
O2 Na1 O4 111.37(10) 9_665 2_665 ?
O2 Na1 O4 111.37(10) 2_665 9_665 ?
O2 Na1 O4 60.27(10) 3_655 2_665 ?
O2 Na1 O4 60.27(10) 12_655 9_665 ?
O2 Na1 O4 119.73(10) 2_665 2_665 ?
O2 Na1 O4 119.73(10) 4_565 9_665 ?
O2 Na1 O4 111.37(10) 4_565 2_665 ?
O2 Na1 O4 60.27(10) . 9_665 ?
O2 Na1 O4 68.63(10) . 2_665 ?
O2 Na1 O4 68.63(10) 9_665 10 ?
O4 Na1 O4 180.0 . 9_665 ?
O4 Na1 O4 14.3(2) 9_665 2_665 ?
O4 Na1 O4 165.7(2) . 2_665 ?
O4 Na1 O4 14.3(2) . 10 ?
O4 Na1 O4 180.0 10 2_665 ?
O4 Na1 O4 165.7(2) 9_665 10 ?
U1 O2 Cs1 99.39(11) 5 9_666 ?
U1 O2 Na1 97.42(13) 5 . ?
Si1 O2 U1 142.8(2) . 5 ?
Si1 O2 Cs1 98.58(15) . 9_666 ?
Si1 O2 Na1 111.21(18) . . ?
Na1 O2 Cs1 99.73(11) . 9_666 ?
O1 O2 U1 78.8(3) . 5 ?
O1 O2 Cs1 73.6(4) . 9_666 ?
O1 O2 Si1 75.5(4) . . ?
O1 O2 Na1 171.5(4) . . ?
Si1 O3 Cs1 100.10(17) 2_765 13_656 ?
Si1 O3 Cs1 100.10(17) . 13_656 ?
Si1 O3 Si1 156.0(3) . 2_765 ?
O3 O3 Cs1 151.79(9) 2_765 13_656 ?
O3 O3 Si1 78.06(16) 2_765 . ?
O3 O3 Si1 78.06(16) 2_765 2_765 ?
U1 O1 Cs1 102.48(13) 5 5 ?
U1 O1 Cs1 103.58(13) 5 9_666 ?
Cs1 O1 Cs1 83.00(9) 9_666 5 ?
Si1 O1 U1 143.6(2) . 5 ?
Si1 O1 Cs1 103.83(16) . 9_666 ?
Si1 O1 Cs1 104.21(17) . 5 ?
O2 O1 U1 80.3(3) . 5 ?
O2 O1 Cs1 92.3(4) . 9_666 ?
O2 O1 Cs1 175.0(4) . 5 ?
O2 O1 Si1 75.2(4) . . ?
U1 O4 U1 160.1(3) 3_655 . ?
U1 O4 Cs1 99.54(15) . 1_554 ?
U1 O4 Cs1 99.54(15) 3_655 1_554 ?
U1 O4 Na1 92.43(15) 3_655 . ?
U1 O4 Na1 92.43(15) . . ?
Na1 O4 Cs1 92.61(15) . 1_554 ?
O4 O4 U1 80.72(14) 10 . ?
O4 O4 U1 80.72(15) 10 3_655 ?
O4 O4 Cs1 175.46(9) 10 1_554 ?
O4 O4 Na1 82.85(11) 10 . ?
Cs1 O5 Cs1 76.7(3) 9_666 5 ?
Cs1 O5 Cs1 98.41(13) 9_666 . ?
Cs1 O5 Cs1 175.1(3) . 5 ?
Si1 O5 Cs1 106.5(4) . 9_666 ?
Si1 O5 Cs1 85.8(4) 10_556 5 ?
Si1 O5 Cs1 85.8(4) . 5 ?
Si1 O5 Cs1 106.5(4) 10_556 9_666 ?
Si1 O5 Cs1 95.7(4) . . ?
Si1 O5 Cs1 95.7(4) 10_556 . ?
Si1 O5 Si1 142.8(4) . 10_556 ?
O5 O5 Cs1 137.11(18) 11_565 9_666 ?
O5 O5 Cs1 146.17(12) 11_565 5 ?
O5 O5 Cs1 38.70(16) 11_565 . ?
O5 O5 Si1 83.6(5) 11_565 . ?
O5 O5 Si1 83.6(5) 11_565 10_556 ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Cs2Na[(UO2)2(Si2O7)]
_database_code_depnum_ccdc_archive 'CCDC 1851842'
_audit_update_record             
;
2018-06-26 deposited with the CCDC.
2018-10-24 downloaded from the CCDC.
;
_audit_creation_date             2018-06-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(Cs8 Na4 O44 Si8 U8)'
_chemical_formula_sum            'Cs2 Na O11 Si2 U2'
_chemical_formula_weight         997.05
_chemical_melting_point          ?
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'
Na Na 0.0362 0.0249 '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'
Si Si 0.0817 0.0704 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_H-M_alt        'P c c n'
_space_group_name_Hall           '-P 2ab 2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'x+1/2, -y, -z+1/2'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'-x-1/2, y, z-1/2'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.8327(3)
_cell_length_b                   7.4187(2)
_cell_length_c                   11.5783(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1188.17(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9896
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      36.31
_cell_measurement_theta_min      2.95
_shelx_estimated_absorpt_T_max   0.443
_shelx_estimated_absorpt_T_min   0.260
_exptl_absorpt_coefficient_mu    33.548
_exptl_absorpt_correction_T_max  0.2740
_exptl_absorpt_correction_T_min  0.1251
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1494 before and 0.0507 after correction.
The Ratio of minimum to maximum transmission is 0.4566.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    5.574
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             1684
_exptl_crystal_size_max          0.055
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.029
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_unetI/netI     0.0170
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            23469
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.138
_diffrn_reflns_theta_min         3.579
_diffrn_ambient_temperature      300.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2146
_reflns_number_total             2247
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.424
_refine_diff_density_min         -1.400
_refine_diff_density_rms         0.192
_refine_ls_extinction_coef       0.00156(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.180
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     86
_refine_ls_number_reflns         2247
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0166
_refine_ls_R_factor_gt           0.0155
_refine_ls_restrained_S_all      1.180
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0105P)²+3.5539P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0351
_refine_ls_wR_factor_ref         0.0355
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.2500 0.2500 0.42919(2) 0.00625(4) Uani 1 2 d S T P . .
U2 U 0.5000 0.0000 0.5000 0.00811(4) Uani 1 2 d S T P . .
Cs3 Cs 0.45854(2) -0.01053(3) 0.15933(2) 0.01799(5) Uani 1 1 d . . . . .
Si4 Si 0.29299(6) -0.04815(10) 0.67338(6) 0.00802(12) Uani 1 1 d . . . . .
O2 O 0.40819(16) -0.0551(3) 0.6526(2) 0.0173(4) Uani 1 1 d . . . . .
O3 O 0.39584(15) 0.2125(3) 0.43860(19) 0.0132(4) Uani 1 1 d . . . . .
O4 O 0.56904(17) 0.1708(3) 0.5801(2) 0.0164(4) Uani 1 1 d . . . . .
O5 O 0.2500 -0.2500 0.6857(5) 0.0359(11) Uani 1 2 d S T P . .
O6 O 0.2668(2) 0.0430(5) 0.7953(3) 0.0336(7) Uani 1 1 d . . . . .
O7 O 0.23941(19) 0.0383(5) 0.5625(3) 0.0346(8) Uani 1 1 d . . . . .
Na1 Na 0.7500 0.2500 0.58142(18) 0.0229(4) Uani 1 2 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
U1 U2 4.00885(8) 2 ?
U1 U2 4.00885(8) . ?
U1 Cs3 4.3769(2) 7_656 ?
U1 Cs3 4.3769(2) 8_566 ?
U1 O3 2.039(2) 2 ?
U1 O3 2.039(2) . ?
U1 O6 2.194(3) 7_655 ?
U1 O6 2.194(3) 8_565 ?
U1 O7 2.207(3) 2 ?
U1 O7 2.207(3) . ?
U1 Na1 3.71139(13) 5_666 ?
U1 Na1 3.71139(12) 5_656 ?
U2 U1 4.00885(7) 5_656 ?
U2 Cs3 3.9866(2) 5_656 ?
U2 Cs3 3.9867(2) . ?
U2 O2 2.214(2) . ?
U2 O2 2.214(2) 5_656 ?
U2 O3 2.251(2) 5_656 ?
U2 O3 2.251(2) . ?
U2 O4 1.838(2) . ?
U2 O4 1.838(2) 5_656 ?
U2 Na1 4.0358(5) 5_656 ?
U2 Na1 4.0358(5) . ?
Cs3 Si4 3.4942(8) 7_655 ?
Cs3 O2 3.298(3) 8 ?
Cs3 O2 2.895(2) 5_656 ?
Cs3 O3 3.489(2) 8_565 ?
Cs3 O3 3.734(2) . ?
Cs3 O3 3.093(2) 4_645 ?
Cs3 O4 3.663(2) 4_645 ?
Cs3 O4 3.087(2) 8_565 ?
Cs3 O4 3.265(2) 5_656 ?
Cs3 O5 3.4015(5) 7_655 ?
Cs3 O6 3.515(3) 7_655 ?
Cs3 O7 2.981(3) 7_655 ?
Si4 Cs3 3.4942(8) 7_656 ?
Si4 Cs3 3.9692(8) 5_656 ?
Si4 Cs3 3.9987(8) 8_556 ?
Si4 O2 1.613(2) . ?
Si4 O5 1.6175(9) . ?
Si4 O6 1.606(3) . ?
Si4 O7 1.615(3) . ?
Si4 Na1 3.362(2) 5_656 ?
Si4 Na1 3.2643(19) 3_456 ?
O2 Cs3 3.298(3) 8_556 ?
O2 Cs3 2.895(2) 5_656 ?
O3 Cs3 3.489(2) 8_566 ?
O3 Cs3 3.093(2) 4_655 ?
O4 Cs3 3.265(2) 5_656 ?
O4 Cs3 3.663(2) 4_655 ?
O4 Cs3 3.087(2) 8_566 ?
O4 Na1 2.571(2) . ?
O5 Cs3 3.4015(5) 8_556 ?
O5 Cs3 3.4015(5) 7_656 ?
O5 Si4 1.6175(9) 2_545 ?
O5 Na1 2.696(6) 3_456 ?
O6 U1 2.195(3) 7_656 ?
O6 Cs3 3.515(3) 7_656 ?
O6 Na1 2.611(4) 3_456 ?
O7 Cs3 2.981(3) 7_656 ?
O7 Na1 2.716(4) 5_656 ?
Na1 U1 3.71139(12) 5_656 ?
Na1 Si4 3.2643(19) 4_656 ?
Na1 Si4 3.2643(19) 3_556 ?
Na1 Si4 3.361(2) 5_656 ?
Na1 Si4 3.361(2) 6_666 ?
Na1 O4 2.571(2) 2_655 ?
Na1 O5 2.696(6) 3_556 ?
Na1 O6 2.611(4) 4_656 ?
Na1 O6 2.611(4) 3_556 ?
Na1 O7 2.716(4) 6_666 ?
Na1 O7 2.716(4) 5_656 ?

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
_geom_angle_publ_flag
U2 U1 U2 156.399(4) . 2 ?
U2 U1 Cs3 103.871(4) . 7_656 ?
U2 U1 Cs3 60.743(3) 2 7_656 ?
U2 U1 Cs3 103.871(4) 2 8_566 ?
U2 U1 Cs3 60.743(3) . 8_566 ?
Cs3 U1 Cs3 104.996(6) 8_566 7_656 ?
O3 U1 U2 21.97(6) 2 2 ?
O3 U1 U2 154.90(6) . 2 ?
O3 U1 U2 154.90(6) 2 . ?
O3 U1 U2 21.97(6) . . ?
O3 U1 Cs3 124.00(6) 2 8_566 ?
O3 U1 Cs3 51.38(6) 2 7_656 ?
O3 U1 Cs3 124.00(6) . 7_656 ?
O3 U1 Cs3 51.38(6) . 8_566 ?
O3 U1 O3 173.88(12) . 2 ?
O3 U1 O6 91.63(9) . 8_565 ?
O3 U1 O6 92.70(10) 2 8_565 ?
O3 U1 O6 92.70(10) . 7_655 ?
O3 U1 O6 91.63(9) 2 7_655 ?
O3 U1 O7 86.05(9) . . ?
O3 U1 O7 89.66(9) . 2 ?
O3 U1 O7 89.66(9) 2 . ?
O3 U1 O7 86.05(9) 2 2 ?
O3 U1 Na1 82.26(6) . 5_656 ?
O3 U1 Na1 97.94(6) . 5_666 ?
O3 U1 Na1 82.26(6) 2 5_666 ?
O3 U1 Na1 97.94(6) 2 5_656 ?
O6 U1 U2 112.13(7) 7_655 2 ?
O6 U1 U2 84.96(8) 7_655 . ?
O6 U1 U2 112.13(7) 8_565 . ?
O6 U1 U2 84.96(8) 8_565 2 ?
O6 U1 Cs3 144.00(7) 7_655 8_566 ?
O6 U1 Cs3 92.94(9) 7_655 7_656 ?
O6 U1 Cs3 144.00(7) 8_565 7_656 ?
O6 U1 Cs3 92.94(9) 8_565 8_566 ?
O6 U1 O6 90.1(2) 7_655 8_565 ?
O6 U1 O7 177.60(10) 7_655 2 ?
O6 U1 O7 89.39(15) 8_565 2 ?
O6 U1 O7 89.39(15) 7_655 . ?
O6 U1 O7 177.60(10) 8_565 . ?
O6 U1 Na1 43.72(11) 8_565 5_666 ?
O6 U1 Na1 132.53(11) 7_655 5_666 ?
O6 U1 Na1 43.72(11) 7_655 5_656 ?
O6 U1 Na1 132.53(11) 8_565 5_656 ?
O7 U1 U2 97.40(8) . 2 ?
O7 U1 U2 65.48(7) . . ?
O7 U1 U2 65.48(7) 2 2 ?
O7 U1 U2 97.40(8) 2 . ?
O7 U1 Cs3 86.10(9) 2 7_656 ?
O7 U1 Cs3 38.39(7) 2 8_566 ?
O7 U1 Cs3 38.39(7) . 7_656 ?
O7 U1 Cs3 86.10(9) . 8_566 ?
O7 U1 O7 91.2(2) 2 . ?
O7 U1 Na1 137.25(11) 2 5_656 ?
O7 U1 Na1 46.53(11) . 5_656 ?
O7 U1 Na1 46.53(11) 2 5_666 ?
O7 U1 Na1 137.25(11) . 5_666 ?
Na1 U1 U2 62.895(8) 5_656 . ?
Na1 U1 U2 117.980(7) 5_656 2 ?
Na1 U1 U2 117.980(7) 5_666 . ?
Na1 U1 U2 62.895(8) 5_666 2 ?
Na1 U1 Cs3 117.48(2) 5_656 8_566 ?
Na1 U1 Cs3 65.09(2) 5_656 7_656 ?
Na1 U1 Cs3 117.48(2) 5_666 7_656 ?
Na1 U1 Cs3 65.09(2) 5_666 8_566 ?
Na1 U1 Na1 176.20(6) 5_656 5_666 ?
U1 U2 U1 180.0 5_656 . ?
U1 U2 Na1 125.053(3) . . ?
U1 U2 Na1 54.947(3) 5_656 . ?
U1 U2 Na1 54.947(3) . 5_656 ?
U1 U2 Na1 125.053(3) 5_656 5_656 ?
Cs3 U2 U1 71.496(3) 5_656 5_656 ?
Cs3 U2 U1 108.504(3) 5_656 . ?
Cs3 U2 U1 71.496(3) . . ?
Cs3 U2 U1 108.504(4) . 5_656 ?
Cs3 U2 Cs3 180.0 5_656 . ?
Cs3 U2 Na1 111.31(3) 5_656 5_656 ?
Cs3 U2 Na1 68.69(3) . 5_656 ?
Cs3 U2 Na1 111.31(3) . . ?
Cs3 U2 Na1 68.69(3) 5_656 . ?
O2 U2 U1 104.26(6) . 5_656 ?
O2 U2 U1 104.26(6) 5_656 . ?
O2 U2 U1 75.74(6) . . ?
O2 U2 U1 75.74(6) 5_656 5_656 ?
O2 U2 Cs3 45.30(6) . 5_656 ?
O2 U2 Cs3 134.70(6) . . ?
O2 U2 Cs3 45.30(6) 5_656 . ?
O2 U2 Cs3 134.70(6) 5_656 5_656 ?
O2 U2 O2 180.0 5_656 . ?
O2 U2 O3 90.81(8) . . ?
O2 U2 O3 89.19(8) . 5_656 ?
O2 U2 O3 89.19(8) 5_656 . ?
O2 U2 O3 90.81(8) 5_656 5_656 ?
O2 U2 Na1 67.04(7) 5_656 . ?
O2 U2 Na1 112.96(7) 5_656 5_656 ?
O2 U2 Na1 67.04(7) . 5_656 ?
O2 U2 Na1 112.96(7) . . ?
O3 U2 U1 19.81(5) 5_656 5_656 ?
O3 U2 U1 160.19(5) 5_656 . ?
O3 U2 U1 160.19(5) . 5_656 ?
O3 U2 U1 19.81(5) . . ?
O3 U2 Cs3 113.01(6) 5_656 . ?
O3 U2 Cs3 66.99(6) 5_656 5_656 ?
O3 U2 Cs3 113.01(6) . 5_656 ?
O3 U2 Cs3 66.99(6) . . ?
O3 U2 O3 180.0 5_656 . ?
O3 U2 Na1 72.51(5) . 5_656 ?
O3 U2 Na1 107.49(5) 5_656 5_656 ?
O3 U2 Na1 72.51(5) 5_656 . ?
O3 U2 Na1 107.49(5) . . ?
O4 U2 U1 103.44(7) . . ?
O4 U2 U1 103.44(7) 5_656 5_656 ?
O4 U2 U1 76.56(7) 5_656 . ?
O4 U2 U1 76.56(7) . 5_656 ?
O4 U2 Cs3 125.99(7) . . ?
O4 U2 Cs3 54.01(7) . 5_656 ?
O4 U2 Cs3 125.99(7) 5_656 5_656 ?
O4 U2 Cs3 54.01(7) 5_656 . ?
O4 U2 O2 91.30(10) . . ?
O4 U2 O2 88.70(10) 5_656 . ?
O4 U2 O2 88.70(10) . 5_656 ?
O4 U2 O2 91.30(10) 5_656 5_656 ?
O4 U2 O3 90.52(9) 5_656 5_656 ?
O4 U2 O3 90.52(9) . . ?
O4 U2 O3 89.48(9) . 5_656 ?
O4 U2 O3 89.48(9) 5_656 . ?
O4 U2 O4 180.0 . 5_656 ?
O4 U2 Na1 28.37(8) 5_656 5_656 ?
O4 U2 Na1 151.63(8) 5_656 . ?
O4 U2 Na1 28.37(8) . . ?
O4 U2 Na1 151.63(8) . 5_656 ?
Na1 U2 Na1 180.0 . 5_656 ?
Si4 Cs3 O3 76.34(3) 7_655 . ?
Si4 Cs3 O4 83.11(4) 7_655 4_645 ?
Si4 Cs3 O6 26.50(4) 7_655 7_655 ?
O2 Cs3 Si4 73.31(4) 8 7_655 ?
O2 Cs3 Si4 127.77(5) 5_656 7_655 ?
O2 Cs3 O2 108.47(7) 5_656 8 ?
O2 Cs3 O3 127.07(6) 5_656 8_565 ?
O2 Cs3 O3 113.86(5) 8 . ?
O2 Cs3 O3 123.33(5) 8 8_565 ?
O2 Cs3 O3 54.68(6) 5_656 . ?
O2 Cs3 O3 88.44(6) 5_656 4_645 ?
O2 Cs3 O4 76.75(6) 5_656 8_565 ?
O2 Cs3 O4 47.89(5) 8 4_645 ?
O2 Cs3 O4 138.10(6) 5_656 4_645 ?
O2 Cs3 O4 55.98(6) 5_656 5_656 ?
O2 Cs3 O5 46.58(4) 8 7_655 ?
O2 Cs3 O5 124.08(10) 5_656 7_655 ?
O2 Cs3 O6 102.05(6) 5_656 7_655 ?
O2 Cs3 O6 86.20(7) 8 7_655 ?
O2 Cs3 O7 147.93(9) 5_656 7_655 ?
O3 Cs3 Si4 127.77(4) 4_645 7_655 ?
O3 Cs3 Si4 80.63(4) 8_565 7_655 ?
O3 Cs3 O2 58.64(5) 4_645 8 ?
O3 Cs3 O3 107.20(2) 8_565 . ?
O3 Cs3 O3 108.33(4) 4_645 8_565 ?
O3 Cs3 O3 139.73(3) 4_645 . ?
O3 Cs3 O4 80.14(5) 8_565 4_645 ?
O3 Cs3 O4 99.95(6) 4_645 5_656 ?
O3 Cs3 O4 50.33(5) 4_645 4_645 ?
O3 Cs3 O5 103.78(5) 4_645 7_655 ?
O3 Cs3 O6 144.78(7) 4_645 7_655 ?
O3 Cs3 O6 92.06(7) 8_565 7_655 ?
O4 Cs3 Si4 79.14(4) 5_656 7_655 ?
O4 Cs3 Si4 124.90(4) 8_565 7_655 ?
O4 Cs3 O2 153.55(6) 8_565 8 ?
O4 Cs3 O2 68.98(6) 5_656 8 ?
O4 Cs3 O3 156.49(5) 4_645 . ?
O4 Cs3 O3 52.27(5) 8_565 8_565 ?
O4 Cs3 O3 151.47(5) 5_656 8_565 ?
O4 Cs3 O3 96.37(6) 8_565 4_645 ?
O4 Cs3 O3 90.60(5) 8_565 . ?
O4 Cs3 O3 48.26(5) 5_656 . ?
O4 Cs3 O4 110.70(5) 8_565 4_645 ?
O4 Cs3 O4 116.88(2) 5_656 4_645 ?
O4 Cs3 O4 129.03(5) 8_565 5_656 ?
O4 Cs3 O5 68.15(9) 5_656 7_655 ?
O4 Cs3 O5 150.81(6) 8_565 7_655 ?
O4 Cs3 O6 118.68(7) 8_565 7_655 ?
O4 Cs3 O6 61.56(7) 5_656 7_655 ?
O5 Cs3 Si4 27.090(14) 7_655 7_655 ?
O5 Cs3 O3 100.72(7) 7_655 8_565 ?
O5 Cs3 O3 87.52(8) 7_655 . ?
O5 Cs3 O4 69.06(8) 7_655 4_645 ?
O5 Cs3 O6 42.84(7) 7_655 7_655 ?
O6 Cs3 O3 49.92(5) 7_655 . ?
O6 Cs3 O4 108.64(6) 7_655 4_645 ?
O7 Cs3 Si4 27.44(5) 7_655 7_655 ?
O7 Cs3 O2 85.18(8) 7_655 8 ?
O7 Cs3 O3 54.49(6) 7_655 8_565 ?
O7 Cs3 O3 122.77(9) 7_655 4_645 ?
O7 Cs3 O3 93.34(8) 7_655 . ?
O7 Cs3 O4 106.52(6) 7_655 5_656 ?
O7 Cs3 O4 104.12(7) 7_655 8_565 ?
O7 Cs3 O4 72.44(8) 7_655 4_645 ?
O7 Cs3 O5 47.02(8) 7_655 7_655 ?
O7 Cs3 O6 48.69(8) 7_655 7_655 ?
Cs3 Si4 Cs3 151.19(2) 7_656 5_656 ?
Cs3 Si4 Cs3 129.33(2) 7_656 8_556 ?
Cs3 Si4 Cs3 67.278(13) 5_656 8_556 ?
O2 Si4 Cs3 53.25(10) . 8_556 ?
O2 Si4 Cs3 168.41(9) . 7_656 ?
O2 Si4 Cs3 38.80(8) . 5_656 ?
O2 Si4 O5 110.29(11) . . ?
O2 Si4 O7 110.33(13) . . ?
O2 Si4 Na1 91.68(9) . 5_656 ?
O2 Si4 Na1 107.18(9) . 3_456 ?
O5 Si4 Cs3 112.14(11) . 5_656 ?
O5 Si4 Cs3 57.05(3) . 8_556 ?
O5 Si4 Cs3 73.26(3) . 7_656 ?
O5 Si4 Na1 66.41(19) . 5_656 ?
O5 Si4 Na1 55.37(19) . 3_456 ?
O6 Si4 Cs3 120.63(14) . 8_556 ?
O6 Si4 Cs3 77.46(11) . 7_656 ?
O6 Si4 Cs3 73.75(11) . 5_656 ?
O6 Si4 O2 111.57(14) . . ?
O6 Si4 O5 103.3(2) . . ?
O6 Si4 O7 115.31(19) . . ?
O6 Si4 Na1 52.26(14) . 3_456 ?
O6 Si4 Na1 156.75(11) . 5_656 ?
O7 Si4 Cs3 58.29(10) . 7_656 ?
O7 Si4 Cs3 137.87(11) . 5_656 ?
O7 Si4 Cs3 123.76(14) . 8_556 ?
O7 Si4 O5 105.6(2) . . ?
O7 Si4 Na1 53.01(14) . 5_656 ?
O7 Si4 Na1 142.17(10) . 3_456 ?
Na1 Si4 Cs3 77.506(19) 3_456 5_656 ?
Na1 Si4 Cs3 72.594(16) 5_656 8_556 ?
Na1 Si4 Cs3 76.355(18) 3_456 8_556 ?
Na1 Si4 Cs3 129.07(2) 5_656 5_656 ?
Na1 Si4 Cs3 84.016(18) 3_456 7_656 ?
Na1 Si4 Cs3 79.547(17) 5_656 7_656 ?
Na1 Si4 Na1 121.78(2) 3_456 5_656 ?
U2 O2 Cs3 94.49(8) . 8_556 ?
U2 O2 Cs3 101.77(8) . 5_656 ?
Cs3 O2 Cs3 90.69(6) 5_656 8_556 ?
Si4 O2 U2 132.87(13) . . ?
Si4 O2 Cs3 120.76(11) . 5_656 ?
Si4 O2 Cs3 103.68(11) . 8_556 ?
U1 O3 U2 138.22(10) . . ?
U1 O3 Cs3 101.45(8) . 8_566 ?
U1 O3 Cs3 122.27(8) . 4_655 ?
U1 O3 Cs3 104.12(8) . . ?
U2 O3 Cs3 93.06(7) . 8_566 ?
U2 O3 Cs3 79.31(6) . . ?
U2 O3 Cs3 99.45(7) . 4_655 ?
Cs3 O3 Cs3 79.96(5) 4_655 . ?
Cs3 O3 Cs3 71.67(4) 4_655 8_566 ?
Cs3 O3 Cs3 149.02(6) 8_566 . ?
U2 O4 Cs3 117.10(10) . 8_566 ?
U2 O4 Cs3 90.51(8) . 4_655 ?
U2 O4 Cs3 98.89(9) . 5_656 ?
U2 O4 Na1 131.78(12) . . ?
Cs3 O4 Cs3 157.24(7) 5_656 4_655 ?
Cs3 O4 Cs3 87.99(6) 8_566 5_656 ?
Cs3 O4 Cs3 69.30(5) 8_566 4_655 ?
Na1 O4 Cs3 87.62(7) . 4_655 ?
Na1 O4 Cs3 107.09(7) . 8_566 ?
Na1 O4 Cs3 101.04(8) . 5_656 ?
Cs3 O5 Cs3 169.70(18) 7_656 8_556 ?
Si4 O5 Cs3 99.43(4) . 8_556 ?
Si4 O5 Cs3 79.65(3) 2_545 8_556 ?
Si4 O5 Cs3 99.43(4) 2_545 7_656 ?
Si4 O5 Cs3 79.65(3) . 7_656 ?
Si4 O5 Si4 169.9(4) . 2_545 ?
Si4 O5 Na1 95.05(19) . 3_456 ?
Si4 O5 Na1 95.06(19) 2_545 3_456 ?
Na1 O5 Cs3 95.15(9) 3_456 8_556 ?
Na1 O5 Cs3 95.15(9) 3_456 7_656 ?
U1 O6 Cs3 107.55(10) 7_656 7_656 ?
U1 O6 Na1 100.77(13) 7_656 3_456 ?
Si4 O6 U1 159.9(2) . 7_656 ?
Si4 O6 Cs3 76.04(11) . 7_656 ?
Si4 O6 Na1 98.62(16) . 3_456 ?
Na1 O6 Cs3 94.11(8) 3_456 7_656 ?
U1 O7 Cs3 114.24(10) . 7_656 ?
U1 O7 Na1 97.32(12) . 5_656 ?
Si4 O7 U1 143.92(18) . . ?
Si4 O7 Cs3 94.27(11) . 7_656 ?
Si4 O7 Na1 98.63(16) . 5_656 ?
Na1 O7 Cs3 100.63(10) 5_656 7_656 ?
Si4 Na1 U1 114.59(5) 6_666 5_656 ?
Si4 Na1 U1 64.55(2) 3_556 5_656 ?
Si4 Na1 U1 61.69(2) 5_656 5_656 ?
Si4 Na1 U1 119.16(5) 4_656 5_656 ?
Si4 Na1 Si4 159.30(3) 4_656 5_656 ?
Si4 Na1 Si4 57.28(4) 5_656 6_666 ?
Si4 Na1 Si4 159.30(3) 3_556 6_666 ?
Si4 Na1 Si4 126.24(2) 3_556 5_656 ?
Si4 Na1 Si4 126.24(2) 4_656 6_666 ?
Si4 Na1 Si4 59.15(4) 4_656 3_556 ?
O4 Na1 U1 103.19(5) 2_655 5_656 ?
O4 Na1 U1 76.79(5) . 5_656 ?
O4 Na1 Si4 86.13(6) 2_655 3_556 ?
O4 Na1 Si4 73.79(6) 2_655 6_666 ?
O4 Na1 Si4 105.60(7) . 6_666 ?
O4 Na1 Si4 94.45(7) . 3_556 ?
O4 Na1 Si4 105.60(7) 2_655 5_656 ?
O4 Na1 Si4 86.13(6) . 4_656 ?
O4 Na1 Si4 73.79(6) . 5_656 ?
O4 Na1 Si4 94.45(7) 2_655 4_656 ?
O4 Na1 O4 179.33(14) . 2_655 ?
O4 Na1 O5 90.33(7) 2_655 3_556 ?
O4 Na1 O5 90.33(7) . 3_556 ?
O4 Na1 O6 84.25(8) . 3_556 ?
O4 Na1 O6 96.12(8) . 4_656 ?
O4 Na1 O6 84.25(8) 2_655 4_656 ?
O4 Na1 O6 96.12(8) 2_655 3_556 ?
O4 Na1 O7 82.47(8) . 5_656 ?
O4 Na1 O7 97.11(8) . 6_666 ?
O4 Na1 O7 97.11(8) 2_655 5_656 ?
O4 Na1 O7 82.47(8) 2_655 6_666 ?
O5 Na1 U1 91.90(3) 3_556 5_656 ?
O5 Na1 Si4 151.36(2) 3_556 6_666 ?
O5 Na1 Si4 29.58(2) 3_556 3_556 ?
O5 Na1 Si4 151.36(2) 3_556 5_656 ?
O5 Na1 Si4 29.58(2) 3_556 4_656 ?
O5 Na1 O7 127.86(6) 3_556 6_666 ?
O5 Na1 O7 127.86(6) 3_556 5_656 ?
O6 Na1 U1 35.51(6) 3_556 5_656 ?
O6 Na1 U1 148.23(9) 4_656 5_656 ?
O6 Na1 Si4 146.61(8) 4_656 5_656 ?
O6 Na1 Si4 29.11(6) 3_556 3_556 ?
O6 Na1 Si4 97.16(6) 3_556 5_656 ?
O6 Na1 Si4 29.11(6) 4_656 4_656 ?
O6 Na1 Si4 97.16(6) 4_656 6_666 ?
O6 Na1 Si4 85.56(8) 3_556 4_656 ?
O6 Na1 Si4 85.56(8) 4_656 3_556 ?
O6 Na1 Si4 146.61(8) 3_556 6_666 ?
O6 Na1 O5 56.86(7) 3_556 3_556 ?
O6 Na1 O5 56.86(7) 4_656 3_556 ?
O6 Na1 O6 113.71(14) 4_656 3_556 ?
O6 Na1 O7 174.96(10) 3_556 6_666 ?
O6 Na1 O7 71.03(8) 3_556 5_656 ?
O6 Na1 O7 71.03(8) 4_656 6_666 ?
O6 Na1 O7 174.96(10) 4_656 5_656 ?
O7 Na1 U1 140.08(8) 6_666 5_656 ?
O7 Na1 U1 36.14(5) 5_656 5_656 ?
O7 Na1 Si4 78.62(7) 5_656 6_666 ?
O7 Na1 Si4 99.36(6) 6_666 4_656 ?
O7 Na1 Si4 28.36(6) 6_666 6_666 ?
O7 Na1 Si4 99.36(6) 5_656 3_556 ?
O7 Na1 Si4 28.36(6) 5_656 5_656 ?
O7 Na1 Si4 154.81(7) 6_666 3_556 ?
O7 Na1 Si4 78.62(7) 6_666 5_656 ?
O7 Na1 Si4 154.81(7) 5_656 4_656 ?
O7 Na1 O7 104.28(13) 5_656 6_666 ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Rb2Na(UO)2Si4O12
_database_code_depnum_ccdc_archive 'CCDC 1851840'
_audit_update_record             
;
2018-06-26 deposited with the CCDC.
2018-10-24 downloaded from the CCDC.
;
_audit_creation_date             2018-06-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(Na2 O28 Rb4 Si8 U4)'
_chemical_formula_sum            'Na O14 Rb2 Si4 U2'
_chemical_formula_weight         1006.35
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Na Na 0.0362 0.0249 '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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           65
_space_group_name_H-M_alt        'C m m m'
_space_group_name_Hall           '-C 2 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'

_cell_length_a                   8.3008(2)
_cell_length_b                   11.3013(3)
_cell_length_c                   7.4374(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     697.70(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9799
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      36.28
_cell_measurement_theta_min      2.74
_shelx_estimated_absorpt_T_max   0.730
_shelx_estimated_absorpt_T_min   0.289
_exptl_absorpt_coefficient_mu    30.561
_exptl_absorpt_correction_T_max  0.2740
_exptl_absorpt_correction_T_min  0.1509
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1412 before and 0.0459 after correction.
The Ratio of minimum to maximum transmission is 0.5507.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    4.790
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             874
_exptl_crystal_size_max          0.054
_exptl_crystal_size_mid          0.051
_exptl_crystal_size_min          0.011
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_unetI/netI     0.0102
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            25466
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.991
_diffrn_reflns_theta_min         2.739
_diffrn_ambient_temperature      300.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                604
_reflns_number_total             607
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         3.582
_refine_diff_density_min         -3.292
_refine_diff_density_rms         0.330
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.196
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     49
_refine_ls_number_reflns         607
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0243
_refine_ls_R_factor_gt           0.0243
_refine_ls_restrained_S_all      1.196
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0453P)²+7.6337P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0701
_refine_ls_wR_factor_ref         0.0701
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(O1) = Uanis(O2)
2. Others
 Sof(O2)=1-FVAR(1)
 Sof(O1)=FVAR(1)
 Fixed Sof: O3(0.25) O0AA(0.25) O6(0.25)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U001 U 0.2500 0.2500 0.0000 0.00732(14) Uani 1 4 d S T P . .
Rb02 Rb 0.5000 0.28764(10) 0.5000 0.0256(2) Uani 1 4 d S T P . .
Si03 Si 0.81038(16) 0.5000 0.29487(19) 0.0053(3) Uani 1 2 d S T P . .
Na04 Na 0.5000 0.5000 0.0000 0.0213(11) Uani 1 8 d S T P . .
O2 O 0.7144(9) 0.5897(5) 0.1696(9) 0.0137(7) Uani 0.527(7) 1 d . . . . .
O3 O 1.0000 0.4674(8) 0.2969(11) 0.0132(16) Uani 0.5 2 d S T P . .
O1 O 0.7850(10) 0.6377(6) 0.2441(9) 0.0137(7) Uani 0.473(7) 1 d . . . . .
O0AA O 0.5000 0.2607(9) -0.0517(18) 0.021(3) Uani 0.5 2 d S T P . .
O6 O 0.7448(8) 0.5218(10) 0.5000 0.009(4) Uani 0.5 2 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
U001 O2 2.227(6) 14_445 ?
U001 O2 2.227(6) 9_665 ?
U001 O2 2.227(6) 2_665 ?
U001 O2 2.227(6) 5_445 ?
U001 O1 2.234(7) 14_445 ?
U001 O1 2.234(7) 5_445 ?
U001 O1 2.234(7) 2_665 ?
U001 O1 2.234(7) 9_665 ?
U001 O0AA 2.114(3) . ?
U001 O0AA 2.114(3) 13 ?
U001 O0AA 2.114(3) 6 ?
U001 O0AA 2.114(3) 10 ?
Rb02 O3 3.255(9) 13_656 ?
Rb02 O3 3.255(9) 6_655 ?
Rb02 O1 3.111(8) 5_445 ?
Rb02 O1 3.151(8) 9_666 ?
Rb02 O1 3.151(8) 11_565 ?
Rb02 O1 3.151(8) 4_566 ?
Rb02 O1 3.151(8) 2_665 ?
Rb02 O1 3.111(8) 16_645 ?
Rb02 O1 3.111(8) 14_446 ?
Rb02 O1 3.111(8) 7_646 ?
Rb02 O6 2.961(9) 9_666 ?
Rb02 O6 2.961(9) 11_565 ?
Si03 Rb02 3.9208(12) 5 ?
Si03 Rb02 3.8373(12) 9_666 ?
Si03 Na04 3.3834(14) . ?
Si03 O2 1.591(6) 11_565 ?
Si03 O2 1.591(6) . ?
Si03 O3 1.617(2) . ?
Si03 O3 1.617(2) 2_765 ?
Si03 O1 1.615(7) 11_565 ?
Si03 O1 1.615(7) . ?
Si03 O6 1.639(3) 11_565 ?
Si03 O6 1.639(3) . ?
Na04 O2 2.405(7) 9_665 ?
Na04 O2 2.405(7) 2_665 ?
Na04 O2 2.405(7) . ?
Na04 O2 2.405(7) 11_565 ?
Na04 O2 2.405(7) 4_565 ?
Na04 O2 2.405(7) 3_655 ?
Na04 O2 2.405(7) 10 ?
Na04 O2 2.405(7) 12_655 ?
Na04 O0AA 2.732(10) 9_665 ?
Na04 O0AA 2.732(10) 2_665 ?
Na04 O0AA 2.732(10) . ?
Na04 O0AA 2.732(10) 10 ?
O2 U001 2.227(6) 5 ?
O2 Rb02 3.336(7) 9_666 ?
O2 O1 0.972(10) . ?
O3 Rb02 3.255(9) 13_656 ?
O3 Si03 1.617(2) 2_765 ?
O3 O3 0.736(18) 2_765 ?
O1 U001 2.234(7) 5 ?
O1 Rb02 3.151(8) 9_666 ?
O1 Rb02 3.111(7) 5 ?
O0AA U001 2.114(3) 3_655 ?
O0AA Rb02 3.348(14) 1_554 ?
O0AA O0AA 0.77(3) 10 ?
O6 Rb02 2.961(9) 9_666 ?
O6 Si03 1.639(3) 10_556 ?
O6 O6 0.49(2) 11_565 ?

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
_geom_angle_publ_flag
O2 U001 O2 180.0(3) 14_445 2_665 ?
O2 U001 O2 111.0(3) 2_665 5_445 ?
O2 U001 O2 69.0(3) 14_445 5_445 ?
O2 U001 O2 111.0(3) 14_445 9_665 ?
O2 U001 O2 69.0(3) 2_665 9_665 ?
O2 U001 O2 180.0(3) 9_665 5_445 ?
O2 U001 O1 90.9(2) 9_665 2_665 ?
O2 U001 O1 25.2(3) 5_445 5_445 ?
O2 U001 O1 89.1(2) 2_665 5_445 ?
O2 U001 O1 90.9(2) 2_665 9_665 ?
O2 U001 O1 25.2(3) 2_665 2_665 ?
O2 U001 O1 154.8(3) 5_445 9_665 ?
O2 U001 O1 89.1(2) 14_445 9_665 ?
O2 U001 O1 25.2(3) 14_445 14_445 ?
O2 U001 O1 25.2(3) 9_665 9_665 ?
O2 U001 O1 154.8(3) 2_665 14_445 ?
O2 U001 O1 90.9(2) 14_445 5_445 ?
O2 U001 O1 89.1(2) 9_665 14_445 ?
O2 U001 O1 154.8(3) 9_665 5_445 ?
O2 U001 O1 90.9(2) 5_445 14_445 ?
O2 U001 O1 154.8(3) 14_445 2_665 ?
O2 U001 O1 89.1(2) 5_445 2_665 ?
O1 U001 O1 71.3(4) 14_445 9_665 ?
O1 U001 O1 180.0 14_445 2_665 ?
O1 U001 O1 71.3(4) 2_665 5_445 ?
O1 U001 O1 180.0(3) 9_665 5_445 ?
O1 U001 O1 108.7(4) 14_445 5_445 ?
O1 U001 O1 108.7(4) 2_665 9_665 ?
O0AA U001 O2 94.2(4) . 14_445 ?
O0AA U001 O2 73.7(4) . 9_665 ?
O0AA U001 O2 106.3(4) . 5_445 ?
O0AA U001 O2 106.3(4) 10 14_445 ?
O0AA U001 O2 94.2(4) 6 9_665 ?
O0AA U001 O2 73.7(4) 6 14_445 ?
O0AA U001 O2 85.8(4) 6 5_445 ?
O0AA U001 O2 85.8(4) 13 14_445 ?
O0AA U001 O2 85.8(4) 10 9_665 ?
O0AA U001 O2 85.8(4) . 2_665 ?
O0AA U001 O2 106.3(4) 13 9_665 ?
O0AA U001 O2 73.7(4) 10 2_665 ?
O0AA U001 O2 94.2(4) 10 5_445 ?
O0AA U001 O2 106.3(4) 6 2_665 ?
O0AA U001 O2 73.7(4) 13 5_445 ?
O0AA U001 O2 94.2(4) 13 2_665 ?
O0AA U001 O1 87.0(4) . 9_665 ?
O0AA U001 O1 75.9(4) 10 5_445 ?
O0AA U001 O1 93.0(4) 10 14_445 ?
O0AA U001 O1 75.9(4) 6 9_665 ?
O0AA U001 O1 87.0(4) 13 5_445 ?
O0AA U001 O1 93.0(4) 13 9_665 ?
O0AA U001 O1 104.1(4) 13 14_445 ?
O0AA U001 O1 104.1(4) . 2_665 ?
O0AA U001 O1 104.1(4) 6 5_445 ?
O0AA U001 O1 87.0(4) 10 2_665 ?
O0AA U001 O1 75.9(4) . 14_445 ?
O0AA U001 O1 93.0(4) 6 2_665 ?
O0AA U001 O1 87.0(4) 6 14_445 ?
O0AA U001 O1 75.9(4) 13 2_665 ?
O0AA U001 O1 93.0(4) . 5_445 ?
O0AA U001 O1 104.1(4) 10 9_665 ?
O0AA U001 O0AA 159.0(7) . 6 ?
O0AA U001 O0AA 159.0(7) 10 13 ?
O0AA U001 O0AA 180.0 . 13 ?
O0AA U001 O0AA 21.0(7) . 10 ?
O0AA U001 O0AA 180.0 10 6 ?
O0AA U001 O0AA 21.0(7) 6 13 ?
O3 Rb02 O3 55.3(3) 6_655 13_656 ?
O1 Rb02 O3 87.53(16) 9_666 13_656 ?
O1 Rb02 O3 78.55(17) 16_645 13_656 ?
O1 Rb02 O3 87.53(16) 2_665 6_655 ?
O1 Rb02 O3 121.17(16) 9_666 6_655 ?
O1 Rb02 O3 121.17(16) 2_665 13_656 ?
O1 Rb02 O3 39.97(15) 14_446 13_656 ?
O1 Rb02 O3 39.97(15) 5_445 6_655 ?
O1 Rb02 O3 87.53(16) 11_565 6_655 ?
O1 Rb02 O3 39.97(15) 16_645 6_655 ?
O1 Rb02 O3 78.55(17) 5_445 13_656 ?
O1 Rb02 O3 78.55(17) 7_646 6_655 ?
O1 Rb02 O3 39.97(15) 7_646 13_656 ?
O1 Rb02 O3 78.55(17) 14_446 6_655 ?
O1 Rb02 O3 87.53(16) 4_566 13_656 ?
O1 Rb02 O3 121.17(16) 4_566 6_655 ?
O1 Rb02 O3 121.17(16) 11_565 13_656 ?
O1 Rb02 O1 161.08(16) 14_446 11_565 ?
O1 Rb02 O1 49.1(2) 5_445 2_665 ?
O1 Rb02 O1 161.08(16) 5_445 4_566 ?
O1 Rb02 O1 74.3(3) 4_566 11_565 ?
O1 Rb02 O1 148.9(3) 4_566 2_665 ?
O1 Rb02 O1 97.3(3) 2_665 11_565 ?
O1 Rb02 O1 49.1(2) 7_646 4_566 ?
O1 Rb02 O1 114.0(3) 5_445 7_646 ?
O1 Rb02 O1 161.08(16) 7_646 2_665 ?
O1 Rb02 O1 70.0(3) 5_445 16_645 ?
O1 Rb02 O1 49.1(2) 16_645 11_565 ?
O1 Rb02 O1 101.9(2) 7_646 9_666 ?
O1 Rb02 O1 94.86(18) 16_645 4_566 ?
O1 Rb02 O1 49.1(2) 14_446 9_666 ?
O1 Rb02 O1 101.9(2) 14_446 4_566 ?
O1 Rb02 O1 97.3(3) 4_566 9_666 ?
O1 Rb02 O1 101.9(2) 16_645 2_665 ?
O1 Rb02 O1 74.3(3) 2_665 9_666 ?
O1 Rb02 O1 94.86(18) 14_446 2_665 ?
O1 Rb02 O1 148.9(3) 11_565 9_666 ?
O1 Rb02 O1 101.9(2) 5_445 11_565 ?
O1 Rb02 O1 114.0(3) 16_645 14_446 ?
O1 Rb02 O1 94.86(18) 7_646 11_565 ?
O1 Rb02 O1 70.0(3) 7_646 14_446 ?
O1 Rb02 O1 94.86(18) 5_445 9_666 ?
O1 Rb02 O1 161.08(16) 16_645 9_666 ?
O1 Rb02 O1 75.4(3) 16_645 7_646 ?
O1 Rb02 O1 75.4(3) 5_445 14_446 ?
O6 Rb02 O3 130.11(15) 11_565 6_655 ?
O6 Rb02 O3 130.11(15) 11_565 13_656 ?
O6 Rb02 O3 130.11(15) 9_666 6_655 ?
O6 Rb02 O3 130.11(15) 9_666 13_656 ?
O6 Rb02 O1 108.7(2) 9_666 11_565 ?
O6 Rb02 O1 142.17(13) 11_565 5_445 ?
O6 Rb02 O1 142.17(13) 11_565 14_446 ?
O6 Rb02 O1 142.17(13) 9_666 16_645 ?
O6 Rb02 O1 44.77(15) 9_666 2_665 ?
O6 Rb02 O1 44.77(15) 11_565 4_566 ?
O6 Rb02 O1 44.77(15) 11_565 11_565 ?
O6 Rb02 O1 108.7(2) 9_666 4_566 ?
O6 Rb02 O1 108.68(19) 11_565 2_665 ?
O6 Rb02 O1 90.15(19) 11_565 7_646 ?
O6 Rb02 O1 90.15(19) 9_666 5_445 ?
O6 Rb02 O1 90.1(2) 11_565 16_645 ?
O6 Rb02 O1 90.15(19) 9_666 14_446 ?
O6 Rb02 O1 142.17(13) 9_666 7_646 ?
O6 Rb02 O1 44.77(15) 9_666 9_666 ?
O6 Rb02 O1 108.7(2) 11_565 9_666 ?
O6 Rb02 O6 86.7(3) 11_565 9_666 ?
Rb02 Si03 Rb02 77.43(4) 9_666 . ?
Rb02 Si03 Rb02 66.190(12) 9_666 5 ?
Rb02 Si03 Rb02 129.30(4) . 5 ?
Na04 Si03 Rb02 75.31(2) . 9_666 ?
Na04 Si03 Rb02 75.31(2) . . ?
Na04 Si03 Rb02 123.913(19) . 5 ?
O2 Si03 Rb02 84.3(2) . 5 ?
O2 Si03 Rb02 163.2(2) 11_565 5 ?
O2 Si03 Rb02 59.9(2) 11_565 . ?
O2 Si03 Rb02 107.2(3) 11_565 9_666 ?
O2 Si03 Rb02 107.2(3) . . ?
O2 Si03 Rb02 59.9(2) . 9_666 ?
O2 Si03 Na04 40.4(2) . . ?
O2 Si03 Na04 40.4(2) 11_565 . ?
O2 Si03 O2 79.2(5) 11_565 . ?
O2 Si03 O3 129.7(4) . . ?
O2 Si03 O3 129.7(4) 11_565 2_765 ?
O2 Si03 O3 110.4(4) . 2_765 ?
O2 Si03 O3 110.4(4) 11_565 . ?
O2 Si03 O1 114.3(3) 11_565 . ?
O2 Si03 O1 35.3(4) . . ?
O2 Si03 O1 35.3(4) 11_565 11_565 ?
O2 Si03 O1 114.3(3) . 11_565 ?
O2 Si03 O6 106.4(4) 11_565 11_565 ?
O2 Si03 O6 106.4(4) . . ?
O2 Si03 O6 118.3(4) 11_565 . ?
O2 Si03 O6 118.3(4) . 11_565 ?
O3 Si03 Rb02 120.5(3) 2_765 9_666 ?
O3 Si03 Rb02 120.5(3) . . ?
O3 Si03 Rb02 142.4(3) 2_765 . ?
O3 Si03 Rb02 142.4(3) . 9_666 ?
O3 Si03 Rb02 54.3(3) 2_765 5 ?
O3 Si03 Rb02 78.1(3) . 5 ?
O3 Si03 Na04 138.4(3) 2_765 . ?
O3 Si03 Na04 138.4(3) . . ?
O3 Si03 O3 26.3(6) 2_765 . ?
O3 Si03 O6 110.4(4) . . ?
O3 Si03 O6 106.3(4) 2_765 . ?
O3 Si03 O6 110.4(4) 2_765 11_565 ?
O3 Si03 O6 106.3(4) . 11_565 ?
O1 Si03 Rb02 160.4(3) 11_565 5 ?
O1 Si03 Rb02 53.3(3) . 9_666 ?
O1 Si03 Rb02 127.4(3) 11_565 9_666 ?
O1 Si03 Rb02 49.0(3) . 5 ?
O1 Si03 Rb02 53.3(3) 11_565 . ?
O1 Si03 Rb02 127.4(3) . . ?
O1 Si03 Na04 75.5(3) . . ?
O1 Si03 Na04 75.5(3) 11_565 . ?
O1 Si03 O3 84.8(4) . 2_765 ?
O1 Si03 O3 110.4(4) . . ?
O1 Si03 O3 110.4(4) 11_565 2_765 ?
O1 Si03 O3 84.8(4) 11_565 . ?
O1 Si03 O1 148.9(5) 11_565 . ?
O1 Si03 O6 108.6(5) . 11_565 ?
O1 Si03 O6 91.7(4) . . ?
O1 Si03 O6 91.7(4) 11_565 11_565 ?
O1 Si03 O6 108.6(5) 11_565 . ?
O6 Si03 Rb02 84.0(3) 11_565 5 ?
O6 Si03 Rb02 69.3(3) . 5 ?
O6 Si03 Rb02 60.0(3) . . ?
O6 Si03 Rb02 46.6(3) . 9_666 ?
O6 Si03 Rb02 46.6(3) 11_565 . ?
O6 Si03 Rb02 60.0(3) 11_565 9_666 ?
O6 Si03 Na04 110.5(2) . . ?
O6 Si03 Na04 110.5(2) 11_565 . ?
O6 Si03 O6 17.3(7) . 11_565 ?
O2 Na04 O2 84.6(3) 4_565 . ?
O2 Na04 O2 130.1(3) 2_665 4_565 ?
O2 Na04 O2 95.4(3) 9_665 4_565 ?
O2 Na04 O2 130.1(3) 9_665 11_565 ?
O2 Na04 O2 49.9(3) 9_665 3_655 ?
O2 Na04 O2 116.7(3) 3_655 4_565 ?
O2 Na04 O2 180.0 11_565 3_655 ?
O2 Na04 O2 180.0(2) 9_665 . ?
O2 Na04 O2 116.7(3) 9_665 10 ?
O2 Na04 O2 116.7(3) 2_665 . ?
O2 Na04 O2 130.1(3) 3_655 . ?
O2 Na04 O2 49.9(3) 2_665 12_655 ?
O2 Na04 O2 95.4(3) 3_655 10 ?
O2 Na04 O2 63.3(3) 11_565 4_565 ?
O2 Na04 O2 63.3(3) 9_665 2_665 ?
O2 Na04 O2 49.9(3) 10 4_565 ?
O2 Na04 O2 95.4(3) 11_565 2_665 ?
O2 Na04 O2 180.0 12_655 4_565 ?
O2 Na04 O2 84.6(3) 3_655 2_665 ?
O2 Na04 O2 49.9(3) 11_565 . ?
O2 Na04 O2 180.0 10 2_665 ?
O2 Na04 O2 63.3(3) 10 . ?
O2 Na04 O2 84.6(3) 11_565 10 ?
O2 Na04 O2 95.4(3) 12_655 . ?
O2 Na04 O2 63.3(3) 3_655 12_655 ?
O2 Na04 O2 130.1(3) 10 12_655 ?
O2 Na04 O2 116.7(3) 11_565 12_655 ?
O2 Na04 O2 84.6(3) 9_665 12_655 ?
O2 Na04 O0AA 110.1(2) 11_565 9_665 ?
O2 Na04 O0AA 119.4(2) 11_565 2_665 ?
O2 Na04 O0AA 69.9(2) 11_565 . ?
O2 Na04 O0AA 69.9(2) 3_655 9_665 ?
O2 Na04 O0AA 69.9(2) 12_655 2_665 ?
O2 Na04 O0AA 69.9(2) 10 9_665 ?
O2 Na04 O0AA 119.4(2) 12_655 . ?
O2 Na04 O0AA 110.1(2) 2_665 9_665 ?
O2 Na04 O0AA 60.6(2) 10 2_665 ?
O2 Na04 O0AA 60.6(2) 12_655 9_665 ?
O2 Na04 O0AA 69.9(2) . 2_665 ?
O2 Na04 O0AA 119.4(2) 4_565 9_665 ?
O2 Na04 O0AA 110.1(2) 10 . ?
O2 Na04 O0AA 60.6(2) . 9_665 ?
O2 Na04 O0AA 119.4(2) 9_665 9_665 ?
O2 Na04 O0AA 119.4(2) . . ?
O2 Na04 O0AA 60.6(2) 3_655 2_665 ?
O2 Na04 O0AA 60.6(2) 11_565 10 ?
O2 Na04 O0AA 119.4(2) 2_665 2_665 ?
O2 Na04 O0AA 119.4(2) 3_655 10 ?
O2 Na04 O0AA 110.1(2) 4_565 2_665 ?
O2 Na04 O0AA 119.4(2) 10 10 ?
O2 Na04 O0AA 60.6(2) 9_665 . ?
O2 Na04 O0AA 60.6(2) 2_665 10 ?
O2 Na04 O0AA 110.1(2) 3_655 . ?
O2 Na04 O0AA 110.1(2) 12_655 10 ?
O2 Na04 O0AA 69.9(2) 2_665 . ?
O2 Na04 O0AA 69.9(2) 4_565 10 ?
O2 Na04 O0AA 60.6(2) 4_565 . ?
O2 Na04 O0AA 110.1(2) . 10 ?
O2 Na04 O0AA 110.1(2) 9_665 2_665 ?
O2 Na04 O0AA 69.9(2) 9_665 10 ?
O0AA Na04 O0AA 163.8(6) 9_665 10 ?
O0AA Na04 O0AA 16.2(6) 10 . ?
O0AA Na04 O0AA 180.0 9_665 . ?
O0AA Na04 O0AA 16.2(6) 9_665 2_665 ?
O0AA Na04 O0AA 163.8(6) 2_665 . ?
O0AA Na04 O0AA 180.0 10 2_665 ?
U001 O2 Rb02 98.6(2) 5 9_666 ?
U001 O2 Na04 98.3(2) 5 . ?
Si03 O2 U001 141.6(4) . 5 ?
Si03 O2 Rb02 95.8(3) . 9_666 ?
Si03 O2 Na04 114.1(3) . . ?
Na04 O2 Rb02 99.6(2) . 9_666 ?
O1 O2 U001 77.8(6) . 5 ?
O1 O2 Rb02 70.7(6) . 9_666 ?
O1 O2 Si03 73.7(6) . . ?
O1 O2 Na04 168.6(7) . . ?
Si03 O3 Rb02 101.9(3) 2_765 13_656 ?
Si03 O3 Rb02 101.9(3) . 13_656 ?
Si03 O3 Si03 153.7(6) . 2_765 ?
O3 O3 Rb02 152.34(15) 2_765 13_656 ?
O3 O3 Si03 76.8(3) 2_765 . ?
O3 O3 Si03 76.8(3) 2_765 2_765 ?
U001 O1 Rb02 103.9(3) 5 9_666 ?
U001 O1 Rb02 105.2(3) 5 5 ?
Rb02 O1 Rb02 85.14(18) 5 9_666 ?
Si03 O1 U001 139.0(4) . 5 ?
Si03 O1 Rb02 102.4(3) . 9_666 ?
Si03 O1 Rb02 107.9(3) . 5 ?
O2 O1 U001 77.0(5) . 5 ?
O2 O1 Rb02 92.3(7) . 9_666 ?
O2 O1 Rb02 177.0(7) . 5 ?
O2 O1 Si03 71.0(6) . . ?
U001 O0AA U001 158.0(7) 3_655 . ?
U001 O0AA Rb02 100.7(4) 3_655 1_554 ?
U001 O0AA Rb02 100.7(4) . 1_554 ?
U001 O0AA Na04 91.8(3) 3_655 . ?
U001 O0AA Na04 91.8(3) . . ?
Na04 O0AA Rb02 92.9(3) . 1_554 ?
O0AA O0AA U001 79.5(4) 10 3_655 ?
O0AA O0AA U001 79.5(4) 10 . ?
O0AA O0AA Rb02 174.78(17) 10 1_554 ?
O0AA O0AA Na04 81.9(3) 10 . ?
Rb02 O6 Rb02 99.15(18) 9_666 . ?
Si03 O6 Rb02 94.8(4) . . ?
Si03 O6 Rb02 109.7(3) 10_556 9_666 ?
Si03 O6 Rb02 94.8(4) 10_556 . ?
Si03 O6 Rb02 109.7(3) . 9_666 ?
Si03 O6 Si03 137.2(5) . 10_556 ?
O6 O6 Rb02 37.51(14) 11_565 . ?
O6 O6 Rb02 136.66(17) 11_565 9_666 ?
O6 O6 Si03 81.4(4) 11_565 10_556 ?
O6 O6 Si03 81.4(4) 11_565 . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_PLAT971_Rb2NaUO2Si4O12      
;
PROBLEM: Check Calcd Resid. Dens. 0.88A From U001 3.58 eA-3
RESPONSE: Residual electron density less than 10% of U001
;
_vrf_PLAT974_Rb2NaUO2Si4O12      
;
PROBLEM: Check Calcd Negative Resid. Density on U001 -3.44 eA-3
RESPONSE: Residual electron density less than 10% of U001
;
# end Validation Reply Form
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_NaK2[U2(Si2O7)2]
_database_code_depnum_ccdc_archive 'CCDC 1851841'
_audit_update_record             
;
2018-06-26 deposited with the CCDC.
2018-10-24 downloaded from the CCDC.
;
_audit_creation_date             2018-06-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(K8 Na4 O56 Si16 U8)'
_chemical_formula_sum            'K2 Na O14 Si4 U2'
_chemical_formula_weight         913.61
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
Si Si 0.0817 0.0704 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           74
_space_group_name_H-M_alt        'I m m a'
_space_group_name_Hall           '-I 2b 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y+1/2, z'
'-x, y+1/2, -z'
'x, -y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1, z+1/2'
'-x+1/2, y+1, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z'
'x, -y-1/2, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   8.3067(2)
_cell_length_b                   11.1188(3)
_cell_length_c                   14.7604(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1363.28(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9696
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      36.34
_cell_measurement_theta_min      2.29
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    24.796
_exptl_absorpt_correction_T_max  0.1661
_exptl_absorpt_correction_T_min  0.1132
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0675 before and 0.0470 after correction.
The Ratio of minimum to maximum transmission is 0.6815.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    4.451
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       tablet
_exptl_crystal_F_000             1604
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.015
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_unetI/netI     0.0078
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            60434
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         33.123
_diffrn_reflns_theta_min         3.665
_diffrn_ambient_temperature      300.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1382
_reflns_number_total             1436
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.628
_refine_diff_density_min         -0.965
_refine_diff_density_rms         0.161
_refine_ls_extinction_coef       0.00039(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     66
_refine_ls_number_reflns         1436
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0117
_refine_ls_R_factor_gt           0.0111
_refine_ls_restrained_S_all      1.144
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0174P)²+5.7495P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0350
_refine_ls_wR_factor_ref         0.0354
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U001 U 0.25364(2) 0.7500 0.52845(2) 0.00843(5) Uani 1 2 d S T P . .
K002 K 0.0000 0.7500 0.74445(6) 0.0232(2) Uani 1 4 d S T P . .
K003 K 0.5000 0.7500 0.19655(7) 0.02004(17) Uani 1 4 d S T P . .
Si04 Si 0.30838(6) 0.52750(4) 0.34960(3) 0.00857(9) Uani 1 1 d . . . . .
Na05 Na 0.0000 0.5000 0.5000 0.0263(4) Uani 1 4 d S T P . .
O006 O 0.2500 0.5758(2) 0.2500 0.0159(4) Uani 1 2 d S T P . .
O007 O 0.5000 0.7500 0.5102(3) 0.0302(8) Uani 1 4 d S T P . .
O008 O 0.21384(19) 0.60788(14) 0.42323(10) 0.0138(2) Uani 1 1 d . . . . .
O009 O 0.2716(2) 0.38695(16) 0.36115(12) 0.0191(3) Uani 1 1 d . . . . .
O00A O 0.0000 0.7500 0.5480(3) 0.0238(7) Uani 1 4 d S T P . .
O00B O 0.5000 0.5556(3) 0.35248(18) 0.0238(5) Uani 1 2 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
U001 U001 4.09288(19) 2_665 ?
U001 K002 3.8215(8) . ?
U001 K002 3.9273(8) 13_566 ?
U001 K003 3.9330(9) 13_565 ?
U001 Na05 3.51315(8) 2_565 ?
U001 Na05 3.51315(8) . ?
U001 O007 2.0641(6) . ?
U001 O008 2.2403(15) . ?
U001 O008 2.2403(15) 11_575 ?
U001 O009 2.2351(17) 4_566 ?
U001 O009 2.2351(17) 10_566 ?
U001 O00A 2.1265(5) . ?
K002 U001 3.8215(8) 2_565 ?
K002 U001 3.9273(8) 13_566 ?
K002 O009 3.1364(19) 10_566 ?
K002 O009 3.1364(19) 3_556 ?
K002 O009 2.9810(19) 6 ?
K002 O009 3.1364(19) 4_566 ?
K002 O009 2.9810(19) 5_455 ?
K002 O009 3.1364(19) 9_566 ?
K002 O009 2.9810(19) 16 ?
K002 O009 2.9810(19) 15_465 ?
K002 O00A 2.900(4) . ?
K003 Si04 3.6258(5) 8_565 ?
K003 Si04 3.6258(5) 7_545 ?
K003 O006 2.9472(17) 13_565 ?
K003 O006 2.9472(17) 2_665 ?
K003 O006 2.9472(17) 14 ?
K003 O006 2.9473(17) . ?
K003 O008 2.9628(17) 8_565 ?
K003 O008 2.9628(17) 13_565 ?
K003 O008 2.9628(17) 14 ?
K003 O008 2.9628(17) 7_545 ?
K003 O00B 3.158(3) . ?
K003 O00B 3.158(3) 2_665 ?
Si04 K002 3.8030(6) 5_544 ?
Si04 K003 3.6258(5) 13_565 ?
Si04 Na05 3.4034(5) . ?
Si04 O006 1.6386(10) . ?
Si04 O008 1.6113(16) . ?
Si04 O009 1.6015(18) . ?
Si04 O00B 1.6226(8) . ?
Na05 U001 3.51314(8) 2_565 ?
Na05 U001 3.51314(8) 9_566 ?
Na05 Si04 3.4034(5) 4_566 ?
Na05 Si04 3.4034(5) 9_566 ?
Na05 Si04 3.4034(5) 12 ?
Na05 O008 2.4245(16) 9_566 ?
Na05 O008 2.4245(16) . ?
Na05 O008 2.4245(16) 4_566 ?
Na05 O008 2.4245(16) 12 ?
Na05 O00A 2.8685(9) . ?
Na05 O00A 2.8685(9) 9_566 ?
O006 K003 2.9473(17) 13_565 ?
O006 Si04 1.6386(10) 7_545 ?
O007 U001 2.0641(6) 2_665 ?
O008 K003 2.9628(17) 13_565 ?
O009 U001 2.2352(17) 10_556 ?
O009 K002 3.1365(19) 9_566 ?
O009 K002 2.9810(19) 5_544 ?
O00A U001 2.1265(5) 2_565 ?
O00A Na05 2.8685(9) 2_565 ?
O00B Si04 1.6226(7) 12_655 ?

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
_geom_angle_publ_flag
K002 U001 U001 123.459(8) . 2_665 ?
K002 U001 U001 58.595(7) 13_566 2_665 ?
K002 U001 K002 64.864(3) . 13_566 ?
K002 U001 K003 179.014(11) 13_566 13_565 ?
K002 U001 K003 114.150(12) . 13_565 ?
K003 U001 U001 122.391(8) 13_565 2_665 ?
Na05 U001 U001 126.850(2) 2_565 2_665 ?
Na05 U001 U001 126.850(2) . 2_665 ?
Na05 U001 K002 76.650(5) 2_565 . ?
Na05 U001 K002 76.650(5) . . ?
Na05 U001 K002 114.491(4) 2_565 13_566 ?
Na05 U001 K002 114.491(4) . 13_566 ?
Na05 U001 K003 65.025(4) . 13_565 ?
Na05 U001 K003 65.025(4) 2_565 13_565 ?
Na05 U001 Na05 104.601(3) . 2_565 ?
O007 U001 U001 7.50(13) . 2_665 ?
O007 U001 K002 130.96(13) . . ?
O007 U001 K002 66.09(13) . 13_566 ?
O007 U001 K003 114.89(13) . 13_565 ?
O007 U001 Na05 125.38(3) . 2_565 ?
O007 U001 Na05 125.38(3) . . ?
O007 U001 O008 93.20(10) . 11_575 ?
O007 U001 O008 93.20(10) . . ?
O007 U001 O009 91.67(11) . 4_566 ?
O007 U001 O009 91.67(11) . 10_566 ?
O007 U001 O00A 179.71(14) . . ?
O008 U001 U001 98.48(4) 11_575 2_665 ?
O008 U001 U001 98.48(4) . 2_665 ?
O008 U001 K002 119.81(4) 11_575 . ?
O008 U001 K002 131.96(4) . 13_566 ?
O008 U001 K002 131.96(4) 11_575 13_566 ?
O008 U001 K002 119.81(4) . . ?
O008 U001 K003 48.36(4) . 13_565 ?
O008 U001 K003 48.36(4) 11_575 13_565 ?
O008 U001 Na05 112.75(4) . 2_565 ?
O008 U001 Na05 43.16(4) 11_575 2_565 ?
O008 U001 Na05 43.16(4) . . ?
O008 U001 Na05 112.75(4) 11_575 . ?
O008 U001 O008 89.72(8) 11_575 . ?
O009 U001 U001 86.18(5) 4_566 2_665 ?
O009 U001 U001 86.18(5) 10_566 2_665 ?
O009 U001 K002 48.93(5) 10_566 13_566 ?
O009 U001 K002 55.15(5) 10_566 . ?
O009 U001 K002 48.93(5) 4_566 13_566 ?
O009 U001 K002 55.15(5) 4_566 . ?
O009 U001 K003 130.64(5) 4_566 13_565 ?
O009 U001 K003 130.64(5) 10_566 13_565 ?
O009 U001 Na05 131.77(5) 10_566 . ?
O009 U001 Na05 65.67(5) 10_566 2_565 ?
O009 U001 Na05 65.67(5) 4_566 . ?
O009 U001 Na05 131.77(5) 4_566 2_565 ?
O009 U001 O008 91.99(7) 4_566 . ?
O009 U001 O008 174.75(6) 10_566 . ?
O009 U001 O008 91.99(7) 10_566 11_575 ?
O009 U001 O008 174.75(6) 4_566 11_575 ?
O009 U001 O009 85.88(9) 10_566 4_566 ?
O00A U001 U001 172.21(10) . 2_665 ?
O00A U001 K002 48.76(10) . . ?
O00A U001 K002 113.62(10) . 13_566 ?
O00A U001 K003 65.40(10) . 13_565 ?
O00A U001 Na05 54.69(2) . 2_565 ?
O00A U001 Na05 54.69(2) . . ?
O00A U001 O008 87.00(8) . 11_575 ?
O00A U001 O008 87.00(8) . . ?
O00A U001 O009 88.12(9) . 10_566 ?
O00A U001 O009 88.12(9) . 4_566 ?
U001 K002 U001 115.137(2) . 13_566 ?
U001 K002 U001 66.917(16) . 2_565 ?
U001 K002 U001 177.946(15) 2_565 13_566 ?
O009 K002 U001 97.54(4) 6 . ?
O009 K002 U001 34.42(3) 6 13_566 ?
O009 K002 U001 35.79(3) 3_556 2_565 ?
O009 K002 U001 146.41(4) 5_455 . ?
O009 K002 U001 143.03(4) 3_556 13_566 ?
O009 K002 U001 146.41(4) 15_465 . ?
O009 K002 U001 88.96(4) 4_566 2_565 ?
O009 K002 U001 88.96(4) 9_566 . ?
O009 K002 U001 80.71(4) 15_465 13_566 ?
O009 K002 U001 88.96(4) 3_556 . ?
O009 K002 U001 92.83(3) 4_566 13_566 ?
O009 K002 U001 35.79(3) 10_566 . ?
O009 K002 U001 88.96(4) 10_566 2_565 ?
O009 K002 U001 35.79(3) 4_566 . ?
O009 K002 U001 34.42(3) 16 13_566 ?
O009 K002 U001 146.41(4) 16 2_565 ?
O009 K002 U001 80.71(4) 5_455 13_566 ?
O009 K002 U001 146.41(4) 6 2_565 ?
O009 K002 U001 143.03(4) 9_566 13_566 ?
O009 K002 U001 97.54(4) 5_455 2_565 ?
O009 K002 U001 92.83(3) 10_566 13_566 ?
O009 K002 U001 97.54(4) 15_465 2_565 ?
O009 K002 U001 35.79(3) 9_566 2_565 ?
O009 K002 U001 97.54(4) 16 . ?
O009 K002 O009 109.40(7) 6 5_455 ?
O009 K002 O009 79.07(7) 16 5_455 ?
O009 K002 O009 120.40(7) 3_556 4_566 ?
O009 K002 O009 109.40(7) 16 15_465 ?
O009 K002 O009 65.25(6) 6 4_566 ?
O009 K002 O009 79.07(7) 6 15_465 ?
O009 K002 O009 119.80(6) 5_455 10_566 ?
O009 K002 O009 61.43(7) 5_455 15_465 ?
O009 K002 O009 91.98(7) 3_556 10_566 ?
O009 K002 O009 173.21(6) 16 9_566 ?
O009 K002 O009 119.80(6) 15_465 4_566 ?
O009 K002 O009 119.80(6) 6 9_566 ?
O009 K002 O009 94.44(5) 6 10_566 ?
O009 K002 O009 94.44(5) 5_455 9_566 ?
O009 K002 O009 173.21(6) 15_465 10_566 ?
O009 K002 O009 65.25(6) 15_465 9_566 ?
O009 K002 O009 120.40(7) 9_566 10_566 ?
O009 K002 O009 119.80(6) 16 3_556 ?
O009 K002 O009 94.44(5) 16 4_566 ?
O009 K002 O009 173.21(6) 6 3_556 ?
O009 K002 O009 61.43(7) 16 6 ?
O009 K002 O009 94.44(5) 15_465 3_556 ?
O009 K002 O009 91.98(7) 9_566 4_566 ?
O009 K002 O009 58.09(7) 9_566 3_556 ?
O009 K002 O009 58.09(7) 10_566 4_566 ?
O009 K002 O009 65.25(6) 16 10_566 ?
O009 K002 O009 173.21(6) 5_455 4_566 ?
O009 K002 O009 65.25(6) 5_455 3_556 ?
O00A K002 U001 148.596(7) . 13_566 ?
O00A K002 U001 33.458(8) . 2_565 ?
O00A K002 U001 33.459(8) . . ?
O00A K002 O009 60.20(4) . 10_566 ?
O00A K002 O009 125.30(4) . 15_465 ?
O00A K002 O009 125.30(4) . 6 ?
O00A K002 O009 60.20(4) . 3_556 ?
O00A K002 O009 60.20(4) . 4_566 ?
O00A K002 O009 60.20(4) . 9_566 ?
O00A K002 O009 125.30(4) . 5_455 ?
O00A K002 O009 125.30(4) . 16 ?
Si04 K003 Si04 158.34(4) 7_545 8_565 ?
O006 K003 Si04 95.72(4) 14 7_545 ?
O006 K003 Si04 90.05(3) 14 8_565 ?
O006 K003 Si04 175.20(4) . 8_565 ?
O006 K003 Si04 90.05(3) 13_565 7_545 ?
O006 K003 Si04 26.375(13) . 7_545 ?
O006 K003 Si04 26.375(13) 2_665 8_565 ?
O006 K003 Si04 175.20(4) 2_665 7_545 ?
O006 K003 Si04 95.72(4) 13_565 8_565 ?
O006 K003 O006 89.60(6) 2_665 13_565 ?
O006 K003 O006 148.95(4) 2_665 . ?
O006 K003 O006 82.17(7) 2_665 14 ?
O006 K003 O006 148.95(4) 14 13_565 ?
O006 K003 O006 89.60(6) 14 . ?
O006 K003 O006 82.17(7) 13_565 . ?
O006 K003 O008 95.04(4) 14 8_565 ?
O006 K003 O008 52.18(3) 2_665 8_565 ?
O006 K003 O008 103.40(5) . 14 ?
O006 K003 O008 158.86(5) 14 13_565 ?
O006 K003 O008 158.86(5) 13_565 14 ?
O006 K003 O008 158.86(5) 2_665 7_545 ?
O006 K003 O008 103.40(5) 2_665 13_565 ?
O006 K003 O008 52.18(3) 13_565 13_565 ?
O006 K003 O008 52.18(3) 14 14 ?
O006 K003 O008 103.40(5) 13_565 8_565 ?
O006 K003 O008 103.40(5) 14 7_545 ?
O006 K003 O008 158.86(5) . 8_565 ?
O006 K003 O008 95.04(4) 2_665 14 ?
O006 K003 O008 95.04(4) 13_565 7_545 ?
O006 K003 O008 52.18(3) . 7_545 ?
O006 K003 O008 95.04(4) . 13_565 ?
O006 K003 O00B 104.76(5) . 2_665 ?
O006 K003 O00B 49.83(3) . . ?
O006 K003 O00B 49.83(3) 13_565 2_665 ?
O006 K003 O00B 104.76(5) 2_665 . ?
O006 K003 O00B 49.83(3) 2_665 2_665 ?
O006 K003 O00B 49.83(3) 14 . ?
O006 K003 O00B 104.76(5) 13_565 . ?
O006 K003 O00B 104.76(5) 14 2_665 ?
O008 K003 Si04 25.89(3) 7_545 7_545 ?
O008 K003 Si04 132.48(4) 7_545 8_565 ?
O008 K003 Si04 25.89(3) 8_565 8_565 ?
O008 K003 Si04 80.11(3) 13_565 7_545 ?
O008 K003 Si04 86.99(3) 13_565 8_565 ?
O008 K003 Si04 80.11(3) 14 8_565 ?
O008 K003 Si04 86.99(3) 14 7_545 ?
O008 K003 Si04 132.48(4) 8_565 7_545 ?
O008 K003 O008 106.73(7) 7_545 8_565 ?
O008 K003 O008 73.68(6) 7_545 14 ?
O008 K003 O008 73.68(6) 13_565 8_565 ?
O008 K003 O008 64.47(6) 7_545 13_565 ?
O008 K003 O008 106.73(7) 13_565 14 ?
O008 K003 O008 64.47(6) 8_565 14 ?
O008 K003 O00B 143.14(3) 7_545 2_665 ?
O008 K003 O00B 94.00(5) 7_545 . ?
O008 K003 O00B 94.00(5) 14 . ?
O008 K003 O00B 94.00(5) 8_565 2_665 ?
O008 K003 O00B 143.14(3) 13_565 . ?
O008 K003 O00B 143.14(3) 8_565 . ?
O008 K003 O00B 94.00(5) 13_565 2_665 ?
O008 K003 O00B 143.14(3) 14 2_665 ?
O00B K003 Si04 70.72(3) 2_665 8_565 ?
O00B K003 Si04 127.16(3) . 8_565 ?
O00B K003 Si04 127.16(3) 2_665 7_545 ?
O00B K003 Si04 70.72(3) . 7_545 ?
O00B K003 O00B 86.41(10) 2_665 . ?
K003 Si04 K002 140.59(2) 13_565 5_544 ?
K003 Si04 K002 96.486(17) . 5_544 ?
K003 Si04 K003 74.554(13) 13_565 . ?
Na05 Si04 K002 120.551(16) . 5_544 ?
Na05 Si04 K003 69.641(16) . 13_565 ?
Na05 Si04 K003 141.279(16) . . ?
O006 Si04 K002 91.35(7) . 5_544 ?
O006 Si04 K003 53.04(6) . 13_565 ?
O006 Si04 K003 50.35(6) . . ?
O006 Si04 Na05 113.07(2) . . ?
O008 Si04 K002 158.31(6) . 5_544 ?
O008 Si04 K003 53.41(6) . 13_565 ?
O008 Si04 K003 104.48(6) . . ?
O008 Si04 Na05 40.81(6) . . ?
O008 Si04 O006 106.21(9) . . ?
O008 Si04 O00B 110.72(11) . . ?
O009 Si04 K002 48.06(7) . 5_544 ?
O009 Si04 K003 142.90(7) . . ?
O009 Si04 K003 123.43(7) . 13_565 ?
O009 Si04 Na05 72.49(7) . . ?
O009 Si04 O006 111.03(11) . . ?
O009 Si04 O008 112.11(9) . . ?
O009 Si04 O00B 111.85(12) . . ?
O00B Si04 K002 75.88(10) . 5_544 ?
O00B Si04 K003 124.53(10) . 13_565 ?
O00B Si04 K003 57.77(10) . . ?
O00B Si04 Na05 137.61(10) . . ?
O00B Si04 O006 104.52(10) . . ?
U001 Na05 U001 106.300(3) 9_566 2_565 ?
Si04 Na05 U001 62.724(8) 12 9_566 ?
Si04 Na05 U001 63.609(9) 12 2_565 ?
Si04 Na05 U001 117.275(8) . 2_565 ?
Si04 Na05 U001 62.724(8) 9_566 2_565 ?
Si04 Na05 U001 116.391(9) 4_566 2_565 ?
Si04 Na05 U001 116.392(9) . 9_566 ?
Si04 Na05 U001 63.609(9) 9_566 9_566 ?
Si04 Na05 U001 117.276(8) 4_566 9_566 ?
Si04 Na05 Si04 82.357(17) 12 9_566 ?
Si04 Na05 Si04 82.357(17) 4_566 . ?
Si04 Na05 Si04 97.643(17) 12 . ?
Si04 Na05 Si04 180.0 . 9_566 ?
Si04 Na05 Si04 180.0 12 4_566 ?
Si04 Na05 Si04 97.643(17) 4_566 9_566 ?
O008 Na05 U001 95.96(4) . 2_565 ?
O008 Na05 U001 140.80(3) . 9_566 ?
O008 Na05 U001 39.20(3) 12 2_565 ?
O008 Na05 U001 39.20(3) 9_566 9_566 ?
O008 Na05 U001 84.04(4) 9_566 2_565 ?
O008 Na05 U001 84.04(4) 12 9_566 ?
O008 Na05 U001 140.80(3) 4_566 2_565 ?
O008 Na05 U001 95.96(4) 4_566 9_566 ?
O008 Na05 Si04 154.26(4) 12 4_566 ?
O008 Na05 Si04 154.26(4) . 9_566 ?
O008 Na05 Si04 78.34(4) 4_566 . ?
O008 Na05 Si04 78.34(4) 12 9_566 ?
O008 Na05 Si04 101.66(4) 12 . ?
O008 Na05 Si04 101.66(4) . 12 ?
O008 Na05 Si04 101.66(4) 4_566 9_566 ?
O008 Na05 Si04 25.74(4) 9_566 9_566 ?
O008 Na05 Si04 154.26(4) 9_566 . ?
O008 Na05 Si04 25.74(4) 12 12 ?
O008 Na05 Si04 25.74(4) . . ?
O008 Na05 Si04 25.74(4) 4_566 4_566 ?
O008 Na05 Si04 78.34(4) 9_566 12 ?
O008 Na05 Si04 78.34(4) . 4_566 ?
O008 Na05 Si04 154.26(4) 4_566 12 ?
O008 Na05 Si04 101.66(4) 9_566 4_566 ?
O008 Na05 O008 94.22(8) 9_566 4_566 ?
O008 Na05 O008 85.78(8) 9_566 12 ?
O008 Na05 O008 94.22(8) 12 . ?
O008 Na05 O008 180.00(6) 12 4_566 ?
O008 Na05 O008 180.0 9_566 . ?
O008 Na05 O008 85.78(8) 4_566 . ?
O008 Na05 O00A 111.35(6) 12 9_566 ?
O008 Na05 O00A 68.65(6) 9_566 9_566 ?
O008 Na05 O00A 68.65(6) 4_566 9_566 ?
O008 Na05 O00A 68.65(6) . . ?
O008 Na05 O00A 111.35(6) . 9_566 ?
O008 Na05 O00A 111.35(6) 9_566 . ?
O008 Na05 O00A 68.65(6) 12 . ?
O008 Na05 O00A 111.35(6) 4_566 . ?
O00A Na05 U001 142.774(10) 9_566 2_565 ?
O00A Na05 U001 37.226(10) 9_566 9_566 ?
O00A Na05 U001 142.774(10) . 9_566 ?
O00A Na05 U001 37.226(10) . 2_565 ?
O00A Na05 Si04 94.24(5) . . ?
O00A Na05 Si04 85.76(5) . 9_566 ?
O00A Na05 Si04 85.76(5) 9_566 12 ?
O00A Na05 Si04 85.76(5) . 4_566 ?
O00A Na05 Si04 94.24(5) . 12 ?
O00A Na05 Si04 94.24(5) 9_566 9_566 ?
O00A Na05 Si04 94.24(5) 9_566 4_566 ?
O00A Na05 Si04 85.76(5) 9_566 . ?
O00A Na05 O00A 180.0 . 9_566 ?
K003 O006 K003 97.83(7) . 13_565 ?
Si04 O006 K003 104.30(5) . . ?
Si04 O006 K003 104.30(5) 7_545 13_565 ?
Si04 O006 K003 100.59(5) . 13_565 ?
Si04 O006 K003 100.59(5) 7_545 . ?
Si04 O006 Si04 141.73(17) . 7_545 ?
U001 O007 U001 165.0(3) . 2_665 ?
U001 O008 K003 97.23(5) . 13_565 ?
U001 O008 Na05 97.64(5) . . ?
Si04 O008 U001 141.90(9) . . ?
Si04 O008 K003 100.70(7) . 13_565 ?
Si04 O008 Na05 113.45(8) . . ?
Na05 O008 K003 95.94(5) . 13_565 ?
U001 O009 K002 89.06(6) 10_556 9_566 ?
U001 O009 K002 96.64(6) 10_556 5_544 ?
K002 O009 K002 85.56(5) 5_544 9_566 ?
Si04 O009 U001 139.03(11) . 10_556 ?
Si04 O009 K002 108.39(8) . 5_544 ?
Si04 O009 K002 123.93(9) . 9_566 ?
U001 O00A U001 164.4(2) 2_565 . ?
U001 O00A K002 97.79(10) . . ?
U001 O00A K002 97.79(10) 2_565 . ?
U001 O00A Na05 88.08(3) 2_565 2_565 ?
U001 O00A Na05 88.08(3) . . ?
U001 O00A Na05 88.08(3) 2_565 . ?
U001 O00A Na05 88.08(3) . 2_565 ?
Na05 O00A K002 104.29(7) . . ?
Na05 O00A K002 104.29(7) 2_565 . ?
Na05 O00A Na05 151.42(15) . 2_565 ?
Si04 O00B K003 96.46(10) . . ?
Si04 O00B K003 96.46(10) 12_655 . ?
Si04 O00B Si04 157.6(2) . 12_655 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
K002 Si04 O006 K003 -97.31(6) 5_544 . . . ?
K002 Si04 O006 K003 161.70(5) 5_544 . . 13_565 ?
K002 Si04 O008 U001 105.85(18) 5_544 . . . ?
K002 Si04 O008 K003 -137.50(13) 5_544 . . 13_565 ?
K002 Si04 O008 Na05 -36.2(2) 5_544 . . . ?
K002 Si04 O009 U001 124.7(2) 5_544 . . 10_556 ?
K002 Si04 O009 K002 -97.20(11) 5_544 . . 9_566 ?
K002 Si04 O00B K003 107.23(7) 5_544 . . . ?
K002 Si04 O00B Si04 -17.7(5) 5_544 . . 12_655 ?
K003 Si04 O006 K003 -101.00(10) . . . 13_565 ?
K003 Si04 O006 K003 101.00(10) 13_565 . . . ?
K003 Si04 O006 Si04 -130.00(5) 13_565 . . 7_545 ?
K003 Si04 O006 Si04 129.01(5) . . . 7_545 ?
K003 Si04 O008 U001 -116.65(16) 13_565 . . . ?
K003 Si04 O008 U001 -58.94(15) . . . . ?
K003 Si04 O008 K003 57.71(5) . . . 13_565 ?
K003 Si04 O008 Na05 101.35(8) 13_565 . . . ?
K003 Si04 O008 Na05 159.05(5) . . . . ?
K003 Si04 O009 U001 -104.69(15) 13_565 . . 10_556 ?
K003 Si04 O009 U001 145.20(10) . . . 10_556 ?
K003 Si04 O009 K002 -76.66(15) . . . 9_566 ?
K003 Si04 O009 K002 20.54(15) . . . 5_544 ?
K003 Si04 O009 K002 130.65(6) 13_565 . . 5_544 ?
K003 Si04 O009 K002 33.45(13) 13_565 . . 9_566 ?
K003 Si04 O00B K003 -35.33(12) 13_565 . . . ?
K003 Si04 O00B Si04 -124.9(5) . . . 12_655 ?
K003 Si04 O00B Si04 -160.3(4) 13_565 . . 12_655 ?
Na05 Si04 O006 K003 138.45(2) . . . . ?
Na05 Si04 O006 K003 37.45(8) . . . 13_565 ?
Na05 Si04 O006 Si04 -92.54(4) . . . 7_545 ?
Na05 Si04 O008 U001 142.01(19) . . . . ?
Na05 Si04 O008 K003 -101.35(8) . . . 13_565 ?
Na05 Si04 O009 U001 -54.88(14) . . . 10_556 ?
Na05 Si04 O009 K002 83.26(9) . . . 9_566 ?
Na05 Si04 O009 K002 -179.54(8) . . . 5_544 ?
Na05 Si04 O00B K003 -132.64(9) . . . . ?
Na05 Si04 O00B Si04 102.4(5) . . . 12_655 ?
O006 Si04 O008 U001 -111.26(15) . . . . ?
O006 Si04 O008 K003 5.39(9) . . . 13_565 ?
O006 Si04 O008 Na05 106.73(9) . . . . ?
O006 Si04 O009 U001 -163.48(13) . . . 10_556 ?
O006 Si04 O009 K002 -25.35(12) . . . 9_566 ?
O006 Si04 O009 K002 71.86(8) . . . 5_544 ?
O006 Si04 O00B K003 19.52(12) . . . . ?
O006 Si04 O00B Si04 -105.4(5) . . . 12_655 ?
O008 Si04 O006 K003 -5.41(9) . . . 13_565 ?
O008 Si04 O006 K003 95.58(7) . . . . ?
O008 Si04 O006 Si04 -135.41(7) . . . 7_545 ?
O008 Si04 O009 U001 -44.87(18) . . . 10_556 ?
O008 Si04 O009 K002 -169.53(7) . . . 5_544 ?
O008 Si04 O009 K002 93.27(12) . . . 9_566 ?
O008 Si04 O00B K003 -94.45(9) . . . . ?
O008 Si04 O00B Si04 140.6(5) . . . 12_655 ?
O009 Si04 O006 K003 116.70(9) . . . 13_565 ?
O009 Si04 O006 K003 -142.30(9) . . . . ?
O009 Si04 O006 Si04 -13.30(8) . . . 7_545 ?
O009 Si04 O008 U001 127.31(14) . . . . ?
O009 Si04 O008 K003 -116.04(9) . . . 13_565 ?
O009 Si04 O008 Na05 -14.69(12) . . . . ?
O009 Si04 O00B K003 139.73(8) . . . . ?
O009 Si04 O00B Si04 14.8(5) . . . 12_655 ?
O00B Si04 O006 K003 -122.53(10) . . . 13_565 ?
O00B Si04 O006 K003 -21.54(13) . . . . ?
O00B Si04 O006 Si04 107.47(10) . . . 7_545 ?
O00B Si04 O008 U001 1.64(19) . . . . ?
O00B Si04 O008 K003 118.29(11) . . . 13_565 ?
O00B Si04 O008 Na05 -140.37(12) . . . . ?
O00B Si04 O009 U001 80.19(19) . . . 10_556 ?
O00B Si04 O009 K002 -141.68(12) . . . 9_566 ?
O00B Si04 O009 K002 -44.48(13) . . . 5_544 ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Rb2Na[(UO2)2(Si2O7)]
_database_code_depnum_ccdc_archive 'CCDC 1851843'
_audit_update_record             
;
2018-06-26 deposited with the CCDC.
2018-10-24 downloaded from the CCDC.
;
_audit_creation_date             2018-06-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3510 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(Na4 O44 Rb8 Si8 U8)'
_chemical_formula_sum            'Na O11 Rb2 Si2 U2'
_chemical_formula_weight         902.17
_chemical_melting_point          ?
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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_H-M_alt        'P c c n'
_space_group_name_Hall           '-P 2ab 2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'

_cell_length_a                   13.6169(4)
_cell_length_b                   7.3529(2)
_cell_length_c                   11.4921(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1150.63(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9141
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      36.34
_cell_measurement_theta_min      2.32
_shelx_estimated_absorpt_T_max   0.526
_shelx_estimated_absorpt_T_min   0.077
_exptl_absorpt_coefficient_mu    36.812
_exptl_absorpt_correction_T_max  0.2740
_exptl_absorpt_correction_T_min  0.0862
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016) was used for absorption correction.
wR2(int) was 0.1622 before and 0.0836 after correction.
The Ratio of minimum to maximum transmission is 0.3146.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.208
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             1540
_exptl_crystal_size_max          0.143
_exptl_crystal_size_mid          0.108
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0572
_diffrn_reflns_av_unetI/netI     0.0167
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            90680
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.128
_diffrn_reflns_theta_min         3.546
_diffrn_ambient_temperature      300.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2156
_reflns_number_total             2193
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.539
_refine_diff_density_min         -2.803
_refine_diff_density_rms         0.390
_refine_ls_extinction_coef       0.00165(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.232
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     86
_refine_ls_number_reflns         2193
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0261
_refine_ls_R_factor_gt           0.0256
_refine_ls_restrained_S_all      1.232
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0268P)²+11.8519P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0636
_refine_ls_wR_factor_ref         0.0639
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.750000 0.250000 0.06883(2) 0.00629(7) Uani 1 2 d S T P . .
U2 U 0.500000 0.500000 0.500000 0.00891(7) Uani 1 2 d S T P . .
Rb1 Rb 0.45900(4) 0.48906(8) 0.16035(5) 0.02465(12) Uani 1 1 d . . . . .
Si1 Si 0.70701(9) 0.54844(16) 0.32336(10) 0.0086(2) Uani 1 1 d . . . . .
Na1 Na 0.750000 0.750000 0.0767(3) 0.0214(6) Uani 1 2 d S T P . .
O1 O 0.6013(3) 0.2190(5) 0.0617(3) 0.0151(6) Uani 1 1 d . . . . .
O2 O 0.7622(3) 0.4618(10) 0.4342(5) 0.0472(18) Uani 1 1 d . . . . .
O3 O 0.750000 0.750000 0.3095(10) 0.053(3) Uani 1 2 d S T P . .
O4 O 0.5709(3) 0.6728(5) 0.5795(3) 0.0197(7) Uani 1 1 d . . . . .
O5 O 0.7360(4) 0.4585(10) 0.2024(6) 0.0490(18) Uani 1 1 d . . . . .
O6 O 0.5899(3) 0.5532(8) 0.3423(3) 0.0269(9) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
U1 U2 3.94886(10) 3_645 ?
U1 U2 3.94886(9) 4_565 ?
U1 Rb1 4.3263(6) 6_655 ?
U1 Rb1 4.3263(6) 5_665 ?
U1 Na1 3.67756(13) 1_545 ?
U1 Na1 3.67757(13) . ?
U1 O1 2.039(4) . ?
U1 O1 2.039(4) 2_655 ?
U1 O2 2.201(5) 8_755 ?
U1 O2 2.201(5) 7_565 ?
U1 O5 2.178(5) . ?
U1 O5 2.178(5) 2_655 ?
U2 Rb1 3.9439(6) 5_666 ?
U2 Rb1 3.9438(6) . ?
U2 Na1 3.9680(8) 7_576 ?
U2 Na1 3.9680(8) 3_645 ?
U2 O1 2.236(3) 7_566 ?
U2 O1 2.236(3) 3_655 ?
U2 O4 1.838(4) 5_666 ?
U2 O4 1.838(4) . ?
U2 O6 2.222(4) 5_666 ?
U2 O6 2.222(4) . ?
Rb1 Rb1 3.8543(12) 5_665 ?
Rb1 Si1 3.4475(13) 4_465 ?
Rb1 O1 3.434(4) 5_665 ?
Rb1 O1 2.997(4) . ?
Rb1 O2 2.915(4) 4_465 ?
Rb1 O3 3.3629(14) 3_645 ?
Rb1 O4 3.243(4) 5_666 ?
Rb1 O4 3.629(4) 3_645 ?
Rb1 O4 3.061(4) 7_575 ?
Rb1 O5 3.443(6) 4_465 ?
Rb1 O6 3.273(5) 3_645 ?
Rb1 O6 2.788(4) . ?
Si1 Na1 3.319(3) 7_576 ?
Si1 Na1 3.252(3) . ?
Si1 O2 1.610(5) . ?
Si1 O3 1.6013(17) . ?
Si1 O5 1.589(5) . ?
Si1 O6 1.610(4) . ?
Na1 O2 2.683(9) 8_755 ?
Na1 O2 2.683(9) 7_575 ?
Na1 O3 2.676(12) . ?
Na1 O4 2.505(4) 7_575 ?
Na1 O4 2.505(4) 8_755 ?
Na1 O5 2.592(9) 2_665 ?
Na1 O5 2.592(9) . ?

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
_geom_angle_publ_flag
U2 U1 U2 156.890(5) 3_645 4_565 ?
U2 U1 Rb1 103.810(8) 4_565 5_665 ?
U2 U1 Rb1 103.810(8) 3_645 6_655 ?
U2 U1 Rb1 61.146(8) 3_645 5_665 ?
U2 U1 Rb1 61.146(8) 4_565 6_655 ?
Rb1 U1 Rb1 104.999(17) 5_665 6_655 ?
Na1 U1 U2 62.585(13) 1_545 3_645 ?
Na1 U1 U2 118.054(11) . 3_645 ?
Na1 U1 U2 118.054(11) 1_545 4_565 ?
Na1 U1 U2 62.585(13) . 4_565 ?
Na1 U1 Rb1 117.28(4) 1_545 5_665 ?
Na1 U1 Rb1 64.64(4) 1_545 6_655 ?
Na1 U1 Rb1 117.28(4) . 6_655 ?
Na1 U1 Rb1 64.64(4) . 5_665 ?
Na1 U1 Na1 177.18(10) 1_545 . ?
O1 U1 U2 23.65(10) 2_655 4_565 ?
O1 U1 U2 23.65(10) . 3_645 ?
O1 U1 U2 154.16(10) 2_655 3_645 ?
O1 U1 U2 154.16(10) . 4_565 ?
O1 U1 Rb1 125.39(10) 2_655 5_665 ?
O1 U1 Rb1 125.39(10) . 6_655 ?
O1 U1 Rb1 51.10(11) 2_655 6_655 ?
O1 U1 Rb1 51.10(11) . 5_665 ?
O1 U1 Na1 96.47(10) . . ?
O1 U1 Na1 96.47(10) 2_655 1_545 ?
O1 U1 Na1 83.64(10) 2_655 . ?
O1 U1 Na1 83.64(10) . 1_545 ?
O1 U1 O1 175.4(2) 2_655 . ?
O1 U1 O2 88.63(16) 2_655 7_565 ?
O1 U1 O2 88.63(16) . 8_755 ?
O1 U1 O2 88.14(15) . 7_565 ?
O1 U1 O2 88.14(15) 2_655 8_755 ?
O1 U1 O5 91.15(17) . . ?
O1 U1 O5 92.09(17) . 2_655 ?
O1 U1 O5 92.09(17) 2_655 . ?
O1 U1 O5 91.15(17) 2_655 2_655 ?
O2 U1 U2 97.10(14) 7_565 4_565 ?
O2 U1 U2 66.10(12) 7_565 3_645 ?
O2 U1 U2 66.10(12) 8_755 4_565 ?
O2 U1 U2 97.10(14) 8_755 3_645 ?
O2 U1 Rb1 86.29(18) 7_565 5_665 ?
O2 U1 Rb1 37.71(12) 7_565 6_655 ?
O2 U1 Rb1 86.29(18) 8_755 6_655 ?
O2 U1 Rb1 37.71(12) 8_755 5_665 ?
O2 U1 Na1 46.4(2) 8_755 . ?
O2 U1 Na1 136.4(2) 7_565 . ?
O2 U1 Na1 46.4(2) 7_565 1_545 ?
O2 U1 Na1 136.4(2) 8_755 1_545 ?
O2 U1 O2 90.7(4) 7_565 8_755 ?
O5 U1 U2 83.63(15) 2_655 3_645 ?
O5 U1 U2 113.17(13) 2_655 4_565 ?
O5 U1 U2 83.63(15) . 4_565 ?
O5 U1 U2 113.17(13) . 3_645 ?
O5 U1 Rb1 143.02(14) 2_655 5_665 ?
O5 U1 Rb1 93.4(2) 2_655 6_655 ?
O5 U1 Rb1 93.4(2) . 5_665 ?
O5 U1 Rb1 143.02(14) . 6_655 ?
O5 U1 Na1 43.9(2) 2_655 1_545 ?
O5 U1 Na1 133.3(2) 2_655 . ?
O5 U1 Na1 133.3(2) . 1_545 ?
O5 U1 Na1 43.9(2) . . ?
O5 U1 O2 179.26(19) . 7_565 ?
O5 U1 O2 89.5(3) . 8_755 ?
O5 U1 O2 179.26(19) 2_655 8_755 ?
O5 U1 O2 89.5(3) 2_655 7_565 ?
O5 U1 O5 90.4(4) 2_655 . ?
U1 U2 U1 180.0 3_655 7_566 ?
U1 U2 Na1 124.642(5) 3_655 7_576 ?
U1 U2 Na1 55.358(5) 3_655 3_645 ?
U1 U2 Na1 55.358(5) 7_566 7_576 ?
U1 U2 Na1 124.642(5) 7_566 3_645 ?
Rb1 U2 U1 71.893(9) . 3_655 ?
Rb1 U2 U1 108.107(9) . 7_566 ?
Rb1 U2 U1 71.893(9) 5_666 7_566 ?
Rb1 U2 U1 108.107(9) 5_666 3_655 ?
Rb1 U2 Rb1 180.0 . 5_666 ?
Rb1 U2 Na1 69.47(5) . 3_645 ?
Rb1 U2 Na1 110.53(5) 5_666 3_645 ?
Rb1 U2 Na1 110.53(5) . 7_576 ?
Rb1 U2 Na1 69.47(5) 5_666 7_576 ?
Na1 U2 Na1 180.0 7_576 3_645 ?
O1 U2 U1 21.46(9) 7_566 7_566 ?
O1 U2 U1 158.54(9) 3_655 7_566 ?
O1 U2 U1 158.54(9) 7_566 3_655 ?
O1 U2 U1 21.46(9) 3_655 3_655 ?
O1 U2 Rb1 112.74(10) 3_655 5_666 ?
O1 U2 Rb1 67.26(10) 3_655 . ?
O1 U2 Rb1 112.74(10) 7_566 . ?
O1 U2 Rb1 67.26(10) 7_566 5_666 ?
O1 U2 Na1 105.44(9) 3_655 7_576 ?
O1 U2 Na1 74.56(9) 3_655 3_645 ?
O1 U2 Na1 74.56(9) 7_566 7_576 ?
O1 U2 Na1 105.44(9) 7_566 3_645 ?
O1 U2 O1 180.0 7_566 3_655 ?
O4 U2 U1 103.32(12) 5_666 7_566 ?
O4 U2 U1 103.32(12) . 3_655 ?
O4 U2 U1 76.68(12) . 7_566 ?
O4 U2 U1 76.68(12) 5_666 3_655 ?
O4 U2 Rb1 54.53(13) . 5_666 ?
O4 U2 Rb1 125.47(13) 5_666 5_666 ?
O4 U2 Rb1 125.47(13) . . ?
O4 U2 Rb1 54.53(13) 5_666 . ?
O4 U2 Na1 28.25(13) . 7_576 ?
O4 U2 Na1 28.25(13) 5_666 3_645 ?
O4 U2 Na1 151.75(13) 5_666 7_576 ?
O4 U2 Na1 151.75(13) . 3_645 ?
O4 U2 O1 90.92(16) . 7_566 ?
O4 U2 O1 90.92(16) 5_666 3_655 ?
O4 U2 O1 89.08(16) . 3_655 ?
O4 U2 O1 89.08(16) 5_666 7_566 ?
O4 U2 O4 180.0 . 5_666 ?
O4 U2 O6 89.68(19) 5_666 5_666 ?
O4 U2 O6 90.31(19) . 5_666 ?
O4 U2 O6 89.69(19) . . ?
O4 U2 O6 90.32(19) 5_666 . ?
O6 U2 U1 76.72(11) 5_666 3_655 ?
O6 U2 U1 103.28(11) 5_666 7_566 ?
O6 U2 U1 103.28(11) . 3_655 ?
O6 U2 U1 76.72(11) . 7_566 ?
O6 U2 Rb1 43.47(11) 5_666 5_666 ?
O6 U2 Rb1 43.47(11) . . ?
O6 U2 Rb1 136.53(11) . 5_666 ?
O6 U2 Rb1 136.53(11) 5_666 . ?
O6 U2 Na1 111.90(13) 5_666 7_576 ?
O6 U2 Na1 68.10(13) 5_666 3_645 ?
O6 U2 Na1 111.90(13) . 3_645 ?
O6 U2 Na1 68.10(13) . 7_576 ?
O6 U2 O1 87.39(15) 5_666 7_566 ?
O6 U2 O1 87.39(15) . 3_655 ?
O6 U2 O1 92.61(15) . 7_566 ?
O6 U2 O1 92.61(15) 5_666 3_655 ?
O6 U2 O6 180.0 5_666 . ?
Si1 Rb1 Rb1 110.10(3) 4_465 5_665 ?
Si1 Rb1 O4 83.02(7) 4_465 3_645 ?
O1 Rb1 Rb1 48.14(6) 5_665 5_665 ?
O1 Rb1 Rb1 58.58(7) . 5_665 ?
O1 Rb1 Si1 81.51(6) 5_665 4_465 ?
O1 Rb1 Si1 127.67(7) . 4_465 ?
O1 Rb1 O1 106.72(8) . 5_665 ?
O1 Rb1 O3 103.87(10) . 3_645 ?
O1 Rb1 O4 79.01(8) 5_665 3_645 ?
O1 Rb1 O4 100.76(10) . 5_666 ?
O1 Rb1 O4 95.83(10) . 7_575 ?
O1 Rb1 O4 50.26(9) . 3_645 ?
O1 Rb1 O5 144.84(14) . 4_465 ?
O1 Rb1 O5 93.41(14) 5_665 4_465 ?
O1 Rb1 O6 58.63(10) . 3_645 ?
O2 Rb1 Rb1 84.54(11) 4_465 5_665 ?
O2 Rb1 Si1 27.73(9) 4_465 4_465 ?
O2 Rb1 O1 122.39(17) 4_465 . ?
O2 Rb1 O1 54.94(11) 4_465 5_665 ?
O2 Rb1 O3 47.54(16) 4_465 3_645 ?
O2 Rb1 O4 105.89(11) 4_465 5_666 ?
O2 Rb1 O4 72.14(17) 4_465 3_645 ?
O2 Rb1 O4 104.11(13) 4_465 7_575 ?
O2 Rb1 O5 49.15(16) 4_465 4_465 ?
O2 Rb1 O6 86.04(16) 4_465 3_645 ?
O3 Rb1 Rb1 111.4(2) 3_645 5_665 ?
O3 Rb1 Si1 27.16(3) 3_645 4_465 ?
O3 Rb1 O1 101.58(16) 3_645 5_665 ?
O3 Rb1 O4 69.41(18) 3_645 3_645 ?
O3 Rb1 O5 42.70(15) 3_645 4_465 ?
O4 Rb1 Rb1 158.92(8) 5_666 5_665 ?
O4 Rb1 Rb1 48.16(6) 3_645 5_665 ?
O4 Rb1 Rb1 62.07(8) 7_575 5_665 ?
O4 Rb1 Si1 78.21(7) 5_666 4_465 ?
O4 Rb1 Si1 125.23(8) 7_575 4_465 ?
O4 Rb1 O1 152.16(10) 5_666 5_665 ?
O4 Rb1 O1 52.09(9) 7_575 5_665 ?
O4 Rb1 O3 66.9(2) 5_666 3_645 ?
O4 Rb1 O3 151.30(11) 7_575 3_645 ?
O4 Rb1 O4 116.80(4) 5_666 3_645 ?
O4 Rb1 O4 110.23(8) 7_575 3_645 ?
O4 Rb1 O4 129.82(9) 7_575 5_666 ?
O4 Rb1 O5 60.55(14) 5_666 4_465 ?
O4 Rb1 O5 119.15(15) 7_575 4_465 ?
O4 Rb1 O6 67.90(10) 5_666 3_645 ?
O4 Rb1 O6 153.37(10) 7_575 3_645 ?
O5 Rb1 Rb1 133.53(11) 4_465 5_665 ?
O5 Rb1 Si1 26.66(8) 4_465 4_465 ?
O5 Rb1 O4 108.71(10) 4_465 3_645 ?
O6 Rb1 Rb1 121.65(8) . 5_665 ?
O6 Rb1 Rb1 95.22(7) 3_645 5_665 ?
O6 Rb1 Si1 73.72(7) 3_645 4_465 ?
O6 Rb1 Si1 127.54(8) . 4_465 ?
O6 Rb1 O1 88.98(12) . . ?
O6 Rb1 O1 127.19(12) . 5_665 ?
O6 Rb1 O1 123.81(9) 3_645 5_665 ?
O6 Rb1 O2 147.85(17) . 4_465 ?
O6 Rb1 O3 123.5(2) . 3_645 ?
O6 Rb1 O3 46.92(7) 3_645 3_645 ?
O6 Rb1 O4 48.92(9) 3_645 3_645 ?
O6 Rb1 O4 76.82(12) . 7_575 ?
O6 Rb1 O4 138.56(12) . 3_645 ?
O6 Rb1 O4 56.70(11) . 5_666 ?
O6 Rb1 O5 101.63(12) . 4_465 ?
O6 Rb1 O5 86.23(14) 3_645 4_465 ?
O6 Rb1 O6 107.62(14) . 3_645 ?
Rb1 Si1 Rb1 67.55(2) . 3_655 ?
Rb1 Si1 Rb1 151.89(4) 4_565 . ?
Rb1 Si1 Rb1 129.19(3) 4_565 3_655 ?
Na1 Si1 Rb1 72.15(3) 7_576 3_655 ?
Na1 Si1 Rb1 84.53(3) . 4_565 ?
Na1 Si1 Rb1 76.75(3) . 3_655 ?
Na1 Si1 Rb1 77.73(3) . . ?
Na1 Si1 Rb1 128.77(4) 7_576 . ?
Na1 Si1 Rb1 79.20(3) 7_576 4_565 ?
Na1 Si1 Na1 121.97(4) . 7_576 ?
O2 Si1 Rb1 137.9(2) . . ?
O2 Si1 Rb1 57.39(16) . 4_565 ?
O2 Si1 Rb1 123.6(3) . 3_655 ?
O2 Si1 Na1 141.81(17) . . ?
O2 Si1 Na1 53.2(3) . 7_576 ?
O3 Si1 Rb1 111.9(2) . . ?
O3 Si1 Rb1 73.48(6) . 4_565 ?
O3 Si1 Rb1 57.01(6) . 3_655 ?
O3 Si1 Na1 55.0(4) . . ?
O3 Si1 Na1 67.0(4) . 7_576 ?
O3 Si1 O2 105.9(4) . . ?
O3 Si1 O6 110.8(2) . . ?
O5 Si1 Rb1 76.5(2) . 4_565 ?
O5 Si1 Rb1 121.6(3) . 3_655 ?
O5 Si1 Rb1 75.4(2) . . ?
O5 Si1 Na1 51.9(3) . . ?
O5 Si1 Na1 155.4(2) . 7_576 ?
O5 Si1 O2 114.3(4) . . ?
O5 Si1 O3 102.0(5) . . ?
O5 Si1 O6 111.9(3) . . ?
O6 Si1 Rb1 168.63(15) . 4_565 ?
O6 Si1 Rb1 53.8(2) . 3_655 ?
O6 Si1 Rb1 37.51(15) . . ?
O6 Si1 Na1 92.67(17) . 7_576 ?
O6 Si1 Na1 106.62(16) . . ?
O6 Si1 O2 111.3(2) . . ?
Si1 Na1 U1 115.14(8) 8_755 1_565 ?
Si1 Na1 U1 64.27(3) 2_665 1_565 ?
Si1 Na1 U1 118.49(8) . 1_565 ?
Si1 Na1 U1 62.10(3) 7_575 1_565 ?
Si1 Na1 Si1 159.46(4) . 7_575 ?
Si1 Na1 Si1 159.46(4) 2_665 8_755 ?
Si1 Na1 Si1 126.36(4) 2_665 7_575 ?
Si1 Na1 Si1 57.38(7) 8_755 7_575 ?
Si1 Na1 Si1 126.36(4) . 8_755 ?
Si1 Na1 Si1 58.69(7) 2_665 . ?
O2 Na1 U1 36.44(9) 7_575 1_565 ?
O2 Na1 U1 140.76(14) 8_755 1_565 ?
O2 Na1 Si1 154.57(12) 8_755 2_665 ?
O2 Na1 Si1 99.26(10) 7_575 2_665 ?
O2 Na1 Si1 154.57(12) 7_575 . ?
O2 Na1 Si1 99.26(10) 8_755 . ?
O2 Na1 Si1 28.70(10) 8_755 8_755 ?
O2 Na1 Si1 78.83(13) 7_575 8_755 ?
O2 Na1 Si1 28.70(10) 7_575 7_575 ?
O2 Na1 Si1 78.83(13) 8_755 7_575 ?
O2 Na1 O2 104.8(2) 8_755 7_575 ?
O3 Na1 U1 91.41(5) . 1_565 ?
O3 Na1 Si1 151.31(3) . 7_575 ?
O3 Na1 Si1 29.34(4) . . ?
O3 Na1 Si1 29.34(4) . 2_665 ?
O3 Na1 Si1 151.31(3) . 8_755 ?
O3 Na1 O2 127.61(11) . 7_575 ?
O3 Na1 O2 127.61(11) . 8_755 ?
O4 Na1 U1 76.92(9) 7_575 1_565 ?
O4 Na1 U1 103.12(9) 8_755 1_565 ?
O4 Na1 Si1 106.51(13) 8_755 7_575 ?
O4 Na1 Si1 93.49(12) 8_755 . ?
O4 Na1 Si1 93.49(12) 7_575 2_665 ?
O4 Na1 Si1 74.82(11) 7_575 7_575 ?
O4 Na1 Si1 85.23(11) 7_575 . ?
O4 Na1 Si1 74.82(11) 8_755 8_755 ?
O4 Na1 Si1 106.51(13) 7_575 8_755 ?
O4 Na1 Si1 85.23(11) 8_755 2_665 ?
O4 Na1 O2 97.28(14) 8_755 7_575 ?
O4 Na1 O2 97.28(14) 7_575 8_755 ?
O4 Na1 O2 83.62(13) 7_575 7_575 ?
O4 Na1 O2 83.62(13) 8_755 8_755 ?
O4 Na1 O3 89.27(12) 8_755 . ?
O4 Na1 O3 89.27(12) 7_575 . ?
O4 Na1 O4 178.5(2) 8_755 7_575 ?
O4 Na1 O5 96.24(16) 8_755 2_665 ?
O4 Na1 O5 96.24(15) 7_575 . ?
O4 Na1 O5 82.94(16) 7_575 2_665 ?
O4 Na1 O5 82.94(16) 8_755 . ?
O5 Na1 U1 35.61(10) 2_665 1_565 ?
O5 Na1 U1 147.18(15) . 1_565 ?
O5 Na1 Si1 147.70(14) . 7_575 ?
O5 Na1 Si1 28.83(11) . . ?
O5 Na1 Si1 97.63(11) 2_665 7_575 ?
O5 Na1 Si1 147.70(14) 2_665 8_755 ?
O5 Na1 Si1 97.63(11) . 8_755 ?
O5 Na1 Si1 84.50(14) . 2_665 ?
O5 Na1 Si1 84.50(14) 2_665 . ?
O5 Na1 Si1 28.83(11) 2_665 2_665 ?
O5 Na1 O2 71.50(15) . 8_755 ?
O5 Na1 O2 176.23(18) 2_665 8_755 ?
O5 Na1 O2 176.23(18) . 7_575 ?
O5 Na1 O2 71.50(15) 2_665 7_575 ?
O5 Na1 O3 56.12(12) . . ?
O5 Na1 O3 56.12(12) 2_665 . ?
O5 Na1 O5 112.2(2) 2_665 . ?
U1 O1 U2 134.90(18) . 3_645 ?
U1 O1 Rb1 101.38(13) . 5_665 ?
U1 O1 Rb1 123.56(14) . . ?
U2 O1 Rb1 101.43(12) 3_645 . ?
U2 O1 Rb1 93.84(12) 3_645 5_665 ?
Rb1 O1 Rb1 73.28(8) . 5_665 ?
U1 O2 Rb1 114.77(18) 7_566 4_565 ?
U1 O2 Na1 97.2(2) 7_566 7_576 ?
Si1 O2 U1 143.2(3) . 7_566 ?
Si1 O2 Rb1 94.9(2) . 4_565 ?
Si1 O2 Na1 98.1(3) . 7_576 ?
Na1 O2 Rb1 100.7(2) 7_576 4_565 ?
Rb1 O3 Rb1 168.2(4) 4_565 3_655 ?
Si1 O3 Rb1 99.45(9) . 3_655 ?
Si1 O3 Rb1 79.36(7) . 4_565 ?
Si1 O3 Rb1 99.45(9) 2_665 4_565 ?
Si1 O3 Rb1 79.36(7) 2_665 3_655 ?
Si1 O3 Si1 168.6(8) . 2_665 ?
Si1 O3 Na1 95.7(4) 2_665 . ?
Si1 O3 Na1 95.7(4) . . ?
Na1 O3 Rb1 95.9(2) . 3_655 ?
Na1 O3 Rb1 95.9(2) . 4_565 ?
U2 O4 Rb1 116.81(17) . 7_576 ?
U2 O4 Rb1 97.97(16) . 5_666 ?
U2 O4 Rb1 90.37(14) . 3_655 ?
U2 O4 Na1 131.4(2) . 7_576 ?
Rb1 O4 Rb1 69.77(8) 7_576 3_655 ?
Rb1 O4 Rb1 157.09(13) 5_666 3_655 ?
Rb1 O4 Rb1 87.47(10) 7_576 5_666 ?
Na1 O4 Rb1 87.37(13) 7_576 3_655 ?
Na1 O4 Rb1 107.72(13) 7_576 7_576 ?
Na1 O4 Rb1 102.54(14) 7_576 5_666 ?
U1 O5 Rb1 108.9(2) . 4_565 ?
U1 O5 Na1 100.5(3) . . ?
Si1 O5 U1 158.6(5) . . ?
Si1 O5 Rb1 76.8(2) . 4_565 ?
Si1 O5 Na1 99.3(3) . . ?
Na1 O5 Rb1 95.62(17) . 4_565 ?
U2 O6 Rb1 93.88(15) . 3_655 ?
U2 O6 Rb1 103.27(15) . . ?
Rb1 O6 Rb1 91.64(12) . 3_655 ?
Si1 O6 U2 130.7(2) . . ?
Si1 O6 Rb1 121.9(2) . . ?
Si1 O6 Rb1 102.8(2) . 3_655 ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_PLAT971_Rb2NaUO22Si2O7      
;
PROBLEM: Check Calcd Resid. Dens.  0.57A   From Rb1
RESPONSE: Residual electron density less than 10% of Rb1
;
_vrf_PLAT972_Rb2NaUO22Si2O7      
;
PROBLEM: Check Calcd Resid. Dens.  0.61A   From U1
RESPONSE: Residual electron density less than 10% of U1
;
# end Validation Reply Form
