I~8~Sb~10~Ge~36~
Kars, Mohammed; Roisnel, Thierry; Dorcet, Vincent; Rebbah, Allaoua; Otero-Diáz, L. Carlos; Acta Crystallographica Section E 66 (2010) i47–; doi:10.1107/S1600536810017496

data_2226050
_publ_section_title
;
 I~8~Sb~10~Ge~36~
;
_journal_coeditor_code           BR2144
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i47
_journal_paper_doi               10.1107/S1600536810017496
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'I8 Sb10 Ge36'
_chemical_formula_structural     '[Sb10 Ge36] I8'
_chemical_formula_sum            'Ge36.227 I8 Sb9.773'
_chemical_formula_weight         4834.8
_chemical_name_common            'octaiodo decantimoniate hexacontagermanide'
_chemical_name_systematic
;
octaiodide decaantimonate hexatriacontagermanide
;
_space_group_IT_number           223
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.8907(2)
_cell_length_b                   10.8907(2)
_cell_length_c                   10.8907(2)
_cell_measurement_reflns_used    6120
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      45.27
_cell_measurement_theta_min      2.64
_cell_volume                     1291.72(4)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SAINT (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2009)'
_computing_publication_material
'JANA2000 (Pet\<r\'i\<cek <i>et al.</i>,  2000)'
_computing_structure_refinement
'JANA2000 (Pet\<r\'i\<cek <i>et al.</i>,  2000)'
_computing_structure_solution    'SHELXS97 Sheldrick, (2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_sigmaI/netI    0.0132
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            27124
_diffrn_reflns_theta_full        45.26
_diffrn_reflns_theta_max         45.26
_diffrn_reflns_theta_min         2.64
_exptl_absorpt_coefficient_mu    30.494
_exptl_absorpt_correction_T_max  0.116
_exptl_absorpt_correction_T_min  0.082
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2002)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.21328
_exptl_crystal_description       Cubic
_exptl_crystal_F_000             2082
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.48
_refine_diff_density_min         -2.97
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.00
_refine_ls_number_parameters     18
_refine_ls_number_reflns         1003
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0371
_refine_ls_shift/su_max          0.0004
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.001444F^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0888
_refine_ls_wR_factor_ref         0.0914
_reflns_number_gt                900
_reflns_number_total             1003
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            br2144.cif
_cod_data_source_block           I
_cod_original_cell_volume        1291.72(3)
_cod_database_code               2226050
_cod_database_fobs_code          2226050