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_7204531
_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         'O12 Rb2 Si4 U'
_chemical_formula_sum            'O24 Rb4 Si8 U2'
_chemical_formula_weight         1426.66
_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   'not located'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                72.794(5)
_cell_angle_beta                 88.741(5)
_cell_angle_gamma                77.950(4)
_cell_formula_units_Z            1
_cell_length_a                   6.8437(17)
_cell_length_b                   8.314(2)
_cell_length_c                   11.273(3)
_cell_measurement_reflns_used    1257
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27
_cell_measurement_theta_min      2.6
_cell_volume                     598.7(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 0.872
_diffrn_measured_fraction_theta_max 0.872
_diffrn_measurement_device_type  'Siemens SMART/CCD'
_diffrn_measurement_method       'narrow scan'
_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  0.1059
_diffrn_reflns_av_sigmaI/netI    0.1205
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3715
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    22.094
_exptl_absorpt_correction_T_max  'Tmin/Tmax ratio 0.4920'
_exptl_absorpt_correction_T_min  'Tmin/Tmax ratio 0.4920'
_exptl_absorpt_correction_type   'multiscan, SADABS'
_exptl_absorpt_process_details   'SADABS program'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.957
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             636
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         3.221
_refine_diff_density_min         -3.884
_refine_diff_density_rms         0.552
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     112
_refine_ls_number_reflns         2594
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.1087
_refine_ls_R_factor_gt           0.0688
_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^)+(0.0880P)^2^+1.2229P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1520
_refine_ls_wR_factor_ref         0.1734
_reflns_number_gt                1840
_reflns_number_total             2594
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b208787c.txt
_cod_data_source_block           USH-2Rb
_cod_original_cell_volume        598.6(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7204531