High-Temperature, High-Pressure Hydrothermal Synthesis and Characterization of an Open-Framework Uranyl Silicate with Nine-Ring Channels: Cs2UO2Si10O22
Hsin-Kuan Liu; Wen-Jung Chang; Kwang-Hwa Lii; Inorganic Chemistry 50 (2011) 11773–11776; doi:10.1021/ic201857e

data_4326924
_publ_section_title
;
 High-Temperature, High-Pressure Hydrothermal Synthesis and
 Characterization of an Open-Framework Uranyl Silicate with Nine-Ring
 Channels: Cs2UO2Si10O22
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11773
_journal_page_last               11776
_journal_paper_doi               10.1021/ic201857e
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         Cs2UO2Si10O22
_chemical_formula_sum            'Cs2 O24 Si10 U'
_chemical_formula_weight         1168.75
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.011(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2506(4)
_cell_length_b                   8.0518(3)
_cell_length_c                   23.3796(8)
_cell_measurement_temperature    296(2)
_cell_volume                     2306.15(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAIHT'
_computing_molecular_graphics    Diamond
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0636
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            38564
_diffrn_reflns_theta_full        28.37
_diffrn_reflns_theta_max         28.37
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    10.778
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4561
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'greenish yellow'
_exptl_crystal_density_diffrn    3.366
_exptl_crystal_description       tablet
_exptl_crystal_F_000             2136
_exptl_crystal_size_max          0.187
_exptl_crystal_size_mid          0.055
_exptl_crystal_size_min          0.045
_refine_diff_density_max         2.507
_refine_diff_density_min         -1.850
_refine_diff_density_rms         0.246
_refine_ls_extinction_coef       0.00014(3)
_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   1.220
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         5741
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.220
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0381
_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^)+(0.0214P)^2^+34.4551P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0930
_refine_ls_wR_factor_ref         0.0959
_reflns_number_gt                4605
_reflns_number_total             5741
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201857e_si_002.cif
_cod_data_source_block           hk14a_0m
_cod_database_code               4326924