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_7200608
_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 As4 O19 U2'
_chemical_formula_weight         1726.96
_chemical_name_systematic
;
hexasilver 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                108.69(8)
_cell_angle_beta                 91.94(7)
_cell_angle_gamma                97.63(6)
_cell_formula_units_Z            4
_cell_length_a                   11.218(3)
_cell_length_b                   11.729(3)
_cell_length_c                   14.146(4)
_cell_measurement_reflns_used    135
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      16
_cell_measurement_theta_min      12
_cell_volume                     1741.7(12)
_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  0.1739
_diffrn_reflns_av_sigmaI/netI    0.2527
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13754
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    32.760
_exptl_absorpt_correction_T_max  0.147
_exptl_absorpt_correction_T_min  0.055
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ShelxA
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    6.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3000
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.321
_refine_diff_density_min         -2.405
_refine_diff_density_rms         0.529
_refine_ls_extinction_coef       0.000059(15)
_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   0.905
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         6877
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.905
_refine_ls_R_factor_all          0.2100
_refine_ls_R_factor_gt           0.0669
_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^)+(0.0483P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1039
_refine_ls_wR_factor_ref         0.1365
_reflns_number_gt                2721
_reflns_number_total             6877
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b818757f.txt
_cod_data_source_block           O19As4Ag6U2
_cod_original_cell_volume        1741.8(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7200608