Nanostructures in Te/Sb/Ge/Ag (TAGS) Thermoelectric Materials Induced by Phase Transitions Associated with Vacancy Ordering.
Schröder, Thorsten; Rosenthal, Tobias; Giesbrecht, Nadja; Nentwig, Markus; Maier, Stefan; Wang, Heng; Snyder, G. Jeffrey; Oeckler, Oliver; Inorganic chemistry 53 (2014) 7722–7729; doi:10.1021/ic5010243

data_4340361
_publ_section_title
;
 Nanostructures in Te/Sb/Ge/Ag (TAGS) Thermoelectric Materials Induced by
 Phase Transitions Associated with Vacancy Ordering.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7722
_journal_page_last               7729
_journal_paper_doi               10.1021/ic5010243
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'Ag0.111 Ge0.611 Sb0.222 Te'
_chemical_formula_sum            'Ag0.111 Ge0.611 Sb0.222 Te'
_chemical_formula_weight         210.97
_chemical_name_common            'silver germanium antimony telluride'
_chemical_name_systematic
; 
silver germanium antimony telluride
;
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_audit_creation_method           'TOPAS ACADEMIC 4.1 + PLATON'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.99253(2)
_cell_length_b                   5.99253(2)
_cell_length_c                   5.99253(2)
_cell_measurement_temperature    293(2)
_cell_volume                     215.1942(12)
_computing_molecular_graphics    'Diamond 3.1b'
_computing_publication_material  'TOPAS ACADEMIC 4.1'
_computing_structure_refinement  'TOPAS ACADEMIC 4.1'
_computing_structure_solution    model
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'Huber G670'
_diffrn_radiation_monochromator  Ge-111
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.54051
_exptl_absorpt_coefficient_mu    143.9
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
none
;
_exptl_crystal_density_diffrn    6.51
_exptl_crystal_F_000             352.4
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  metallic_light_grey
_pd_char_particle_morphology     powder
_pd_meas_number_of_points        15201
_pd_proc_ls_prof_R_factor        0.0254
_pd_proc_ls_prof_wR_factor       0.0371
_pd_proc_number_of_points        15201
_refine_ls_goodness_of_fit_all   1.430
_refine_ls_matrix_type           full
_refine_ls_number_constraints    2
_refine_ls_number_parameters     22
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.0182
_refine_ls_shift/su_max          0.00
_refine_ls_shift/su_mean         0.00
_reflns_d_resolution_high        3.45979
_reflns_d_resolution_low         1.01292
_reflns_limit_h_max              5
_reflns_limit_h_min              0
_reflns_limit_k_max              4
_reflns_limit_k_min              0
_reflns_limit_l_max              4
_reflns_limit_l_min              1
_reflns_number_total             13
_cod_data_source_file            ic5010243_si_002.cif
_cod_data_source_block           TS141_2
_cod_depositor_comments
'Adding full bibliography for 4340360--4340362.cif.'
_cod_original_cell_volume        215.194(2)
_cod_database_code               4340361
_pd_proc_ls_prof_r_expected      0.0259