The novel open-framework uranium silicates Na2(UO2)(Si4O10)·2.1H2O (USH-1) and RbNa(UO2)(Si2O6)·H2O (USH-3)
Wang, Xiqu; Huang, Jin; Liu, Lumei; Jacobson, Allan J.; Journal of Materials Chemistry 12 (2002) 406–; doi:10.1039/b109878k

data_7204306
_publ_section_title
;
 The novel open-framework uranium silicates
 Na2(UO2)(Si4O10)&#x00B7;2.1H2O (USH-1) and RbNa(UO2)(Si2O6)&#x00B7;H2O
 (USH-3)
;
_journal_issue                   3
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              406
_journal_paper_doi               10.1039/b109878k
_journal_volume                  12
_journal_year                    2002
_chemical_formula_sum            'H2 Na O9 Rb Si2 U'
_chemical_formula_weight         548.69
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   ignored
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                78.0240(10)
_cell_angle_beta                 75.0130(10)
_cell_angle_gamma                83.7410(10)
_cell_formula_units_Z            2
_cell_length_a                   7.3668(5)
_cell_length_b                   7.8691(6)
_cell_length_c                   8.1766(6)
_cell_measurement_temperature    293(2)
_cell_volume                     447.14(6)
_computing_cell_refinement       SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.877
_diffrn_measured_fraction_theta_max 0.877
_diffrn_measurement_device_type  'Siemens SMART/CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0196
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2697
_diffrn_reflns_theta_full        28.20
_diffrn_reflns_theta_max         28.20
_diffrn_reflns_theta_min         2.62
_exptl_absorpt_coefficient_mu    23.898
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.4963
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    4.075
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             484
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         4.138
_refine_diff_density_min         -3.551
_refine_diff_density_rms         0.534
_refine_ls_extinction_coef       0.0157(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_hydrogen_treatment    ignored
_refine_ls_matrix_type           full
_refine_ls_number_parameters     131
_refine_ls_number_reflns         1932
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.143
_refine_ls_R_factor_all          0.0485
_refine_ls_R_factor_gt           0.0469
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1004P)^2^+3.6620P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1374
_refine_ls_wR_factor_ref         0.1391
_reflns_number_gt                1819
_reflns_number_total             1932
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b109878k.txt
_cod_data_source_block           USH3
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7204306