Hydrothermal synthesis and structures of the new open-framework uranyl silicates Rb4(UO2)2(Si8O20) (USH-2Rb), Rb2(UO2)(Si2O6)·H2O (USH-4Rb) and A2(UO2)(Si2O6)·0.5H2O (USH-5A; A = Rb, Cs)
Huang, Jin; Wang, Xiqu; Jacobson, Allan J.; Journal of Materials Chemistry 13 (2003) 191–; doi:10.1039/b208787c

data_7204528
_publ_section_title
;
 Hydrothermal synthesis and structures of the new open-framework uranyl
 silicates Rb4(UO2)2(Si8O20) (USH-2Rb), Rb2(UO2)(Si2O6)&#x00B7;H2O
 (USH-4Rb) and A2(UO2)(Si2O6)&#x00B7;0.5H2O (USH-5A; A = Rb, Cs)
;
_journal_issue                   2
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              191
_journal_paper_doi               10.1039/b208787c
_journal_volume                  13
_journal_year                    2003
_chemical_formula_moiety         'H O8.50 Rb2 Si2 U'
_chemical_formula_sum            'H O8.5 Rb2 Si2 U'
_chemical_formula_weight         602.16
_chemical_name_systematic
;
?
;
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   'not located'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   14.6270(6)
_cell_length_b                   15.1447(7)
_cell_length_c                   16.6446(7)
_cell_measurement_reflns_used    6803
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2.2
_cell_volume                     3687.1(3)
_computing_cell_refinement       SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'DIAMOND 2.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.939
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_device_type  'Siemens SMART/CCD'
_diffrn_measurement_method       'narrow frame'
_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  0.0461
_diffrn_reflns_av_sigmaI/netI    0.0324
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21723
_diffrn_reflns_theta_full        28.48
_diffrn_reflns_theta_max         28.48
_diffrn_reflns_theta_min         2.29
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    28.378
_exptl_absorpt_correction_T_max  'Tmin/Tmax ratio 0.5782'
_exptl_absorpt_correction_T_min  'Tmin/Tmax ratio 0.5782'
_exptl_absorpt_correction_type   'multiscan, SADABS'
_exptl_absorpt_process_details   'SADABS program'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    4.339
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             4208
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.560
_refine_diff_density_min         -1.660
_refine_diff_density_rms         0.298
_refine_ls_extinction_coef       0.000141(14)
_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   1.180
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         4377
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.180
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0346
_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^)+(0.0359P)^2^+78.0979P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1037
_refine_ls_wR_factor_ref         0.1092
_reflns_number_gt                3022
_reflns_number_total             4377
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b208787c.txt
_cod_data_source_block           USH-5Rb
_cod_original_sg_symbol_H-M      Pbca
_cod_original_formula_sum        'H O8.50 Rb2 Si2 U'
_cod_database_code               7204528