Structural Features of Ge1Sb4Te7, an Intermetallic Compound in the GeTe-Sb2Te3Homologous Series
Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki; Chemistry of Materials 20 (2008) 5750–; doi:10.1021/cm703484k

data_4001141
_publ_section_title
;
 Structural Features of Ge1Sb4Te7, an Intermetallic Compound in the
 GeTe-Sb2Te3Homologous Series
;
_journal_issue                   18
_journal_name_full               'Chemistry of Materials'
_journal_page_first              5750
_journal_paper_doi               10.1021/cm703484k
_journal_volume                  20
_journal_year                    2008
_chemical_formula_sum            'Ge Sb4 Te7'
_chemical_formula_weight         1452.79
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.2360(3)
_cell_length_b                   4.2360
_cell_length_c                   23.7609(17)
_cell_measurement_temperature    90
_cell_volume                     369.24(4)
_computing_cell_refinement       'Rietan (Izumi, F. & Ikeda, T., 2000)'
_computing_data_reduction        Rietan
_computing_structure_refinement  Rietan
_computing_structure_solution    Rietan
_diffrn_ambient_temperature      90
_diffrn_detector                 'imaging plate'
_diffrn_measurement_device_type  'Debye-Scherrer camera'
_diffrn_radiation_monochromator
'vertical focusing mirror + Si (111) double monochromator'
_diffrn_radiation_wavelength     0.42986
_diffrn_source                   synchrotron
_exptl_absorpt_coefficient_mu    6.25
_exptl_crystal_colour            'dark gray'
_exptl_crystal_density_diffrn    6.53
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.01
_pd_meas_2theta_range_max        74.74
_pd_meas_2theta_range_min        1.00
_pd_meas_number_of_points        7375
_pd_meas_scan_method             fixed
_pd_prep_cool_rate               0
_pd_prep_pressure                0.1
_pd_prep_temperature             300
_pd_proc_2theta_range_inc        0.01
_pd_proc_2theta_range_max        38.8
_pd_proc_2theta_range_min        1.1
_pd_proc_info_excluded_regions   none
_pd_proc_ls_background_function  'Legendre polynomial'
_pd_proc_ls_pref_orient_corr     ' March-Dollase function, axis (012)'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.036
_pd_proc_ls_prof_wR_expected     0.011
_pd_proc_ls_prof_wR_factor       0.051
_pd_spec_mounting                ' sealed quartz capillary tube'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_pd_spec_size_axial              3.0
_pd_spec_size_equat              0.3
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   4.86
_refine_ls_number_parameters     35
_refine_ls_R_I_factor            .005
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            cm703484k_si_001.cif
_cod_data_source_block           Ge1Sb4Te7_90K
_cod_original_formula_sum        'Ge1 Sb4 Te7'
_cod_database_code               4001141