The Solid Solution Series (GeTe)x(LiSbTe2)2 (1 <=x<= 11) and the Thermoelectric Properties of (GeTe)11(LiSbTe2)2
Thorsten Schröder; Stefan Schwarzmüller; Christian Stiewe; Johannes de Boor; Markus Hölzel; Oliver Oeckler; Inorganic Chemistry 52 (2013) 11288–11294; doi:10.1021/ic401516m

data_4336236
_publ_contact_author_address
;
Institut f\"ur Mineralogie, Kristallographie und Materialwissenschaft
Universit\"at Leipzig
Scharnhorststr. 20
04275 Leipzig, Germany
;
_publ_contact_author_email       oliver.oeckler@gmx.de
_publ_contact_author_fax         +49/341/97-36299
_publ_contact_author_name
;
Prof. Dr. Oliver Oeckler
;
_publ_contact_author_phone       +49/341/97-36251
_publ_section_title
;
 The Solid Solution Series (GeTe)x(LiSbTe2)2 (1 <=x<= 11) and the
 Thermoelectric Properties of (GeTe)11(LiSbTe2)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11288
_journal_page_last               11294
_journal_paper_doi               10.1021/ic401516m
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'Ge0.733 Li0.133 Sb0.133 Te'
_chemical_formula_sum            'Ge0.733 Li0.133 Sb0.133 Te'
_chemical_formula_weight         198.0
_chemical_name_common            'germanium lithium antimony telluride'
_chemical_name_systematic
; 
germanium lithium antimony telluride
;
_space_group_IT_number           160
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_audit_creation_method           'TOPAS ACADEMIC 4.1 + PLATON'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.20290(6)
_cell_length_b                   4.20290(6)
_cell_length_c                   10.5360(2)
_cell_measurement_temperature    293(2)
_cell_volume                     161.178(4)
_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    129.34
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
none
;
_exptl_crystal_density_diffrn    6.12
_exptl_crystal_F_000             247.9
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  metallic_light_grey
_pd_char_particle_morphology     powder
_pd_meas_number_of_points        15601
_pd_proc_ls_prof_R_factor        0.01697
_pd_proc_ls_prof_wR_factor       0.02750
_pd_proc_number_of_points        15601
_refine_ls_goodness_of_fit_all   0.876
_refine_ls_matrix_type           full
_refine_ls_number_constraints    2
_refine_ls_number_parameters     25
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.03165
_refine_ls_shift/su_max          0.00
_refine_ls_shift/su_mean         0.00
_reflns_d_resolution_high        3.51199
_reflns_d_resolution_low         1.00490
_reflns_limit_h_max              3
_reflns_limit_h_min              0
_reflns_limit_k_max              3
_reflns_limit_k_min              0
_reflns_limit_l_max              10
_reflns_limit_l_min              0
_reflns_number_total             31
_cod_data_source_file            ic401516m_si_007.cif
_cod_data_source_block           TSSS69
_cod_original_cell_volume        161.178(6)
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_database_code               4336236
_pd_proc_ls_prof_r_expected      0.03140