Structural investigation of GeSb~6~Te~10~ and GeBi~6~Te~10~ intermetallic compounds in the chalcogenide homologous series
Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Fujita, Tomoko; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki; Acta Crystallographica Section B 66 (2010) 407–411; doi:10.1107/S0108768110024080

data_2104806
_publ_section_title
;
 Structural investigation of GeSb~6~Te~10~ and GeBi~6~Te~10~
 intermetallic compounds in the chalcogenide homologous series
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              407
_journal_page_last               411
_journal_paper_doi               10.1107/S0108768110024080
_journal_volume                  66
_journal_year                    2010
_chemical_formula_sum            'Ge Sb6 Te10'
_chemical_formula_weight         2079.1
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.236
_cell_length_b                   4.236
_cell_length_c                   101.5087
_cell_measurement_temperature    92
_cell_volume                     1577.414
_computing_publication_material
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_computing_structure_refinement
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_diffrn_ambient_temperature      92
_diffrn_detector_type            'image plate'
_diffrn_measurement_device_type  BL02B2
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.42354
_exptl_absorpt_coefficient_mu    5.418
_exptl_absorpt_process_details
'(Jana2000; Petricek, Dusek & Palatinus, 2000)'
_exptl_crystal_density_diffrn    6.564
_exptl_crystal_F_000             2574
_pd_meas_2theta_range_inc        0.01
_pd_meas_2theta_range_max        56.000
_pd_meas_2theta_range_min        1.200
_pd_meas_number_of_points        5481
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.01
_pd_proc_2theta_range_max        56.000
_pd_proc_2theta_range_min        1.200
_pd_proc_ls_background_function  '15 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     'March & Dollase'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0407
_pd_proc_ls_prof_wR_expected     0.0120
_pd_proc_ls_prof_wR_factor       0.0569
_pd_spec_mounting                '0.3mm diameter quartz capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   4.754
_refine_ls_number_parameters     39
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          13.9716
_refine_ls_shift/su_mean         1.6114
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0351
_refine_ls_wR_factor_ref         0.0351
_cod_data_source_file            so5032.cif
_cod_data_source_block           I
_cod_original_cell_volume        1577.378
_cod_original_sg_symbol_Hall     '-R 3;-2"'
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ge1 Sb6 Te10'
_cod_database_code               2104806