AgNa~2~Mo~3~O~9~AsO~4~
Hamza, Hamadi; Zid, Mohamed Faouzi; Driss, Ahmed; Acta Crystallographica Section E 67 (2011) i63–; doi:10.1107/S1600536811041961

data_2232167
_publ_section_title
;
 AgNa~2~Mo~3~O~9~AsO~4~
;
_journal_coeditor_code           BR2178
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i63
_journal_paper_doi               10.1107/S1600536811041961
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'Ag Na2 Mo3 O9 As O4'
_chemical_formula_moiety         'Ag1.06 As Mo3 Na1.94 O13'
_chemical_formula_structural     'Ag Na2 Mo3 O9 As O4'
_chemical_formula_sum            'Ag1.06 As Mo3 Na1.94 O13'
_chemical_formula_weight         729.68
_chemical_name_common            'Ag1 As1 Mo3 Na2 O13'
_chemical_name_systematic
;
silver disodium trimolybdenum(VI) nonaoxide arsenate
;
_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                99.49(2)
_cell_angle_beta                 106.07(2)
_cell_angle_gamma                113.29(2)
_cell_formula_units_Z            2
_cell_length_a                   8.1767(8)
_cell_length_b                   9.7687(9)
_cell_length_c                   8.0451(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     539.09(18)
_computing_cell_refinement       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1998)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_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  0.0232
_diffrn_reflns_av_sigmaI/netI    0.0350
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2853
_diffrn_reflns_theta_full        26.97
_diffrn_reflns_theta_max         26.97
_diffrn_reflns_theta_min         2.39
_diffrn_standards_decay_%        1.1
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    8.500
_exptl_absorpt_correction_T_max  0.2466
_exptl_absorpt_correction_T_min  0.0975
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    4.495
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             668
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.945
_refine_diff_density_min         -0.758
_refine_ls_extinction_coef       0.00141(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_matrix_type           full
_refine_ls_number_parameters     188
_refine_ls_number_reflns         2355
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0236
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0204P)^2^+1.4359P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0600
_refine_ls_wR_factor_ref         0.0629
_reflns_number_gt                2047
_reflns_number_total             2355
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br2178.cif
_cod_data_source_block           I
_cod_original_cell_volume        539.14(19)
_cod_database_code               2232167
_cod_database_fobs_code          2232167