Polytypism and oxo-tungstate polyhedra polymerization in novel complex uranyl tungstates.
Seliverstov, Andrey N.; Suleimanov, Evgeny V.; Chuprunov, Evgeny V.; Somov, Nikolay V.; Zhuchkova, Elena M.; Lelet, Maxim I.; Rozov, Konstantin B.; Depmeier, Wulf; Krivovichev, Sergey V.; Alekseev, Evgeny V.; Dalton transactions (Cambridge, England : 2003) 41 (2012) 8512–8514; doi:10.1039/c2dt31000g

data_7019645
_publ_section_title
;
 Polytypism and oxo-tungstate polyhedra polymerization in novel complex
 uranyl tungstates.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8512
_journal_page_last               8514
_journal_paper_doi               10.1039/c2dt31000g
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'O39 Rb6 U7 W5'
_chemical_formula_weight         3722.28
_chemical_name_common            'Rubidium uranyl tungstate'
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 103.6755(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.04192(13)
_cell_length_b                   26.8465(3)
_cell_length_c                   10.66563(15)
_cell_measurement_reflns_used    26586
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      3.25
_cell_volume                     1959.18(5)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
;
_computing_molecular_graphics    'Crystal Maker'
_computing_publication_material  WinWord''CorelDraw
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'XCallibur III'
_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  0.0738
_diffrn_reflns_av_sigmaI/netI    0.0762
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            26586
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.25
_exptl_absorpt_coefficient_mu    50.936
_exptl_absorpt_correction_T_max  0.6299
_exptl_absorpt_correction_T_min  0.0231
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    6.310
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3096
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.01
_refine_diff_density_max         6.349
_refine_diff_density_min         -2.570
_refine_diff_density_rms         0.527
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.0(1)
_refine_ls_extinction_coef       0.000137(13)
_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   1.075
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         7983
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0251P)^2^+115.9816P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0992
_refine_ls_wR_factor_ref         0.1018
_reflns_number_gt                6832
_reflns_number_total             7983
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt31000g.txt
_cod_data_source_block           rbuw_10_12
_cod_original_sg_symbol_H-M      P21
_cod_database_code               7019645