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_7200609
_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            'As4 Na6 O19 U2'
_chemical_formula_weight         1217.68
_chemical_name_systematic
;
hexsodium diauranyl diortoarsenato diarsenate 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.63(3)
_cell_angle_beta                 91.27(2)
_cell_angle_gamma                97.40(2)
_cell_formula_units_Z            4
_cell_length_a                   10.996(3)
_cell_length_b                   11.633(3)
_cell_length_c                   14.057(4)
_cell_measurement_reflns_used    135
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      16
_cell_measurement_theta_min      12
_cell_volume                     1685.9(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Stoe Stadi4'
_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  0.1213
_diffrn_reflns_av_sigmaI/netI    0.1508
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15919
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    27.236
_exptl_absorpt_correction_T_max  0.256
_exptl_absorpt_correction_T_min  0.048
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    4.797
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2136
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.918
_refine_diff_density_min         -2.250
_refine_diff_density_rms         0.438
_refine_ls_extinction_coef       0.00047(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   0.926
_refine_ls_matrix_type           full
_refine_ls_number_parameters     382
_refine_ls_number_reflns         8044
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.926
_refine_ls_R_factor_all          0.1327
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0261P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0755
_refine_ls_wR_factor_ref         0.0918
_reflns_number_gt                4177
_reflns_number_total             8044
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b818757f.txt
_cod_data_source_block           O19As4Na6U2
_cod_original_cell_volume        1685.9(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7200609