Novel layered uranyl arsenates, Ag6[(UO2)2(As2O7)(As4O13)] and AI6[(UO2)2(AsO4)2(As2O7)] (AI–Ag and Na): first observation of a linear As4O136− anion and structure type evolution
Alekseev, Evgeny V.; Krivovichev, Sergey V.; Depmeier, Wulf; Journal of Materials Chemistry 19 (2009) 2583–; doi:10.1039/b818757f

data_7200607
_publ_section_title
;
 Novel layered uranyl arsenates, Ag6[(UO2)2(As2O7)(As4O13)] and
 AI6[(UO2)2(AsO4)2(As2O7)] (AI--Ag and Na): first observation of a linear
 As4O136&#x2212; anion and structure type evolution
;
_journal_issue                   17
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2583
_journal_paper_doi               10.1039/b818757f
_journal_volume                  19
_journal_year                    2009
_chemical_formula_sum            'Ag6 As6 O24 U2'
_chemical_formula_weight         1956.80
_chemical_name_systematic
;
 hexasilver diauranyl diarsenato tetraarsenate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.040(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9630(10)
_cell_length_b                   27.5760(10)
_cell_length_c                   9.2070(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2197.7(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.945
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_device_type  Mar345ImagePlate
_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  0.0405
_diffrn_reflns_av_sigmaI/netI    0.0428
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            14602
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.73
_exptl_absorpt_coefficient_mu    28.987
_exptl_absorpt_correction_T_max  0.314
_exptl_absorpt_correction_T_min  0.077
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    5.914
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3424
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.755
_refine_diff_density_min         -2.313
_refine_diff_density_rms         0.398
_refine_ls_extinction_coef       0.00038(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   1.128
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         4246
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0443P)^2^+93.4179P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1153
_refine_ls_wR_factor_ref         0.1203
_reflns_number_gt                3882
_reflns_number_total             4246
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b818757f.txt
_cod_data_source_block           O24As6Ag6U2
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7200607