Crystal structure of nonasilver hexathioaluminate, Ag~9~AlS~6~, the γ phase
Zaiss, T.; Deiseroth, H.-J.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 119–120; doi:

data_8102940
_publ_section_title
;
Crystal structure of nonasilver hexathioaluminate, Ag~9~AlS~6~, the 
\g phase
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              119
_journal_page_last               120
_journal_volume                  221
_journal_year                    2006
_chemical_formula_sum            'Ag9 Al S6'
_chemical_formula_weight         1190.2
_chemical_name_common            'nonasilver hexathioaluminate - gamma'
_chemical_name_systematic        'nonasilver hexathioaluminate - gamma'
_space_group_IT_number           216
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_audit_creation_method           JANA-98
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.739(1)
_cell_length_b                   10.739(1)
_cell_length_c                   10.739(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17
_cell_measurement_theta_min      12
_cell_volume                     1238.5(2)
_computing_cell_refinement       'Enraf-Nonius CAD4'
_computing_data_collection       'Enraf-Nonius CAD4'
_computing_data_reduction        'JANA-98 (Petricek, 1998)'
_computing_molecular_graphics    SCIAN
_computing_publication_material  'JANA-98 (Petricek, 1998)'
_computing_structure_refinement  'JANA-98 (Petricek, 1998)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
_diffrn_measurement_method       omega/2theta
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56087
_diffrn_reflns_av_R_equivalents  0.0572
_diffrn_reflns_av_sigmaI/netI    0.0046
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3771
_diffrn_reflns_theta_max         29.88
_diffrn_reflns_theta_min         2.59
_diffrn_standards_interval_count 400
_diffrn_standards_interval_time  167
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.851
_exptl_absorpt_correction_T_max  0.9960
_exptl_absorpt_correction_T_min  0.5067
_exptl_absorpt_correction_type   \Y-scans
_exptl_crystal_colour            'metallic lustre'
_exptl_crystal_density_diffrn    6.381
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'well shaped isometric'
_exptl_crystal_F_000             2128
_exptl_crystal_size_max          0.6275
_exptl_crystal_size_mid          0.455
_exptl_crystal_size_min          0.375
_refine_diff_density_max         1.39
_refine_diff_density_min         -1.35
_refine_ls_extinction_coef       0.113(9)
_refine_ls_extinction_method     'B-C type 1 Lorentzian isotropic'
_refine_ls_goodness_of_fit_all   9.22
_refine_ls_goodness_of_fit_obs   8.69
_refine_ls_matrix_type           full
_refine_ls_number_parameters     42
_refine_ls_number_reflns         298
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0343
_refine_ls_shift/esd_max         0.0031
_refine_ls_shift/esd_mean        0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/\s^2^(I)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0485
_refine_ls_wR_factor_gt          0.0486
_reflns_limit_h_max              11
_reflns_limit_h_min              -7
_reflns_limit_k_max              13
_reflns_limit_k_min              0
_reflns_limit_l_max              19
_reflns_limit_l_min              1
_reflns_number_observed          268
_reflns_number_total             298
_reflns_observed_criterion       3
_reflns_threshold_expression     >3sigma(I)
_cod_data_source_file            409872.cff
_cod_data_source_block           Ag9AlS6
_cod_original_cell_volume        1238.5(1)
_cod_original_sg_symbol_H-M      F-43m
_cod_original_formula_sum        'Ag9 Al1 S6'
_cod_database_code               8102940