Redétermination de la Structure du Sulfure de Cadmium et de Germanium, Cd~4~GeS~6~
Julien-Pouzol, M.; Jaulmes, S.; Acta Crystallographica Section C 51 (1995) 1966–1968; doi:10.1107/S0108270195003763

data_2003996
_publ_section_title
;
 Red\'etermination de la Structure du Sulfure de Cadmium et de
 Germanium, Cd~4~GeS~6~
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1966
_journal_page_last               1968
_journal_paper_doi               10.1107/S0108270195003763
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'Cd4 Ge1 S6'
_chemical_formula_sum            'Cd4 Ge S6'
_chemical_formula_weight         714.55
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 110.08(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.326(3)
_cell_length_b                   7.088(2)
_cell_length_c                   12.365(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      11.63
_cell_measurement_theta_min      3.37
_cell_volume                     1014.6(5)
_diffrn_measurement_device       'Syntex-Nicolet P3F'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1480
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        2.4
_diffrn_standards_interval_count 60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    12.246
_exptl_absorpt_correction_T_max  0.527
_exptl_absorpt_correction_T_min  0.416
_exptl_absorpt_correction_type   analytical
_exptl_crystal_colour            jaun\^atre
_exptl_crystal_density_diffrn    4.67
_exptl_crystal_density_meas      4.70(5)
_exptl_crystal_density_method    pycnom\'etrie
_exptl_crystal_description       'poly\`edre \`a neuf faces'
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.2
_refine_diff_density_min         -1.5
_refine_ls_extinction_coef       0.88(3)E-6
_refine_ls_extinction_method     'Becker & Coppens (1975)'
_refine_ls_goodness_of_fit_obs   0.28
_refine_ls_number_parameters     99
_refine_ls_number_reflns         1480
_refine_ls_R_factor_obs          0.0407
_refine_ls_shift/esd_max         0.0007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;                    sigma,
w = 1/\s(F)
;
_refine_ls_wR_factor_obs         0.0508
_reflns_number_observed          1480
_reflns_number_total             1480
_reflns_observed_criterion       'F >= 0'
_cod_data_source_file            du1119.cif
_cod_data_source_block           du1119a
_cod_original_cell_volume        1014.7(4)
_cod_original_sg_symbol_H-M      'C c'
_cod_original_formula_sum        'Cd4 Ge1 S6'
_cod_database_code               2003996