Influence of extreme conditions on the formation and structures of caesium uranium(vi) arsenates.
Yu, Na; Kegler, Philip; Klepov, Vladislav V.; Dellen, Jakob; Schlenz, Hartmut; Langer, Eike M.; Bosbach, Dirk; Alekseev, Evgeny V.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 20735–20744; doi:10.1039/c5dt03842a

data_7037252
_publ_section_title
;
 Influence of extreme conditions on the formation and structures of
 caesium uranium(vi) arsenates.
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              20735
_journal_page_last               20744
_journal_paper_doi               10.1039/c5dt03842a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'As2 Cs O9.17 U'
_chemical_formula_weight         667.45
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-10-01 deposited with the CCDC.
2015-11-01 downloaded from the CCDC.
;
_cell_angle_alpha                77.494(2)
_cell_angle_beta                 82.150(2)
_cell_angle_gamma                84.030(2)
_cell_formula_units_Z            6
_cell_length_a                   6.7984(2)
_cell_length_b                   9.8513(3)
_cell_length_c                   20.5988(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1330.25(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0536
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            9411
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    29.777
_exptl_crystal_density_diffrn    4.999
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1718
_refine_diff_density_max         1.654
_refine_diff_density_min         -1.781
_refine_diff_density_rms         0.314
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.031(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.772
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     712
_refine_ls_number_reflns         6486
_refine_ls_number_restraints     945
_refine_ls_restrained_S_all      0.725
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0351
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0989
_refine_ls_wR_factor_ref         0.1062
_reflns_number_gt                5934
_reflns_number_total             6486
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt03842a2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
'Adding full bibliography for 7037249--7037252.cif.'
_cod_database_code               7037252