'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive "Cu-S" network'
Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E.; Advanced Energy Materials 9 (2019) 1803249–1803249; doi:10.1002/aenm.201803249

data_1568390
_publ_section_title
;
 'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo,
 W): toward functionalization of the conductive "Cu-S" network'
;
_journal_issue                   6
_journal_name_full               'Advanced Energy Materials'
_journal_page_first              1803249
_journal_page_last               1803249
_journal_paper_doi               10.1002/aenm.201803249
_journal_volume                  9
_journal_year                    2019
_chemical_formula_structural     Cu26W2Ge6S32
_chemical_formula_sum            'Cu26 Ge6 S32 W2'
_chemical_formula_weight         3481.67
_space_group_IT_number           218
_space_group_name_Hall           'P -4n 2 3'
_space_group_name_H-M_alt        'P -4 3 n'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            1
_cell_length_a                   10.60980(10)
_cell_length_b                   10.60980(10)
_cell_length_c                   10.60980(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1194.322(19)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'see experimental section'
_diffrn_detector_area_resol_mean 'see experimental section'
_diffrn_detector_type            'see experimental section'
_diffrn_measurement_device_type  'see experimental section'
_diffrn_measurement_method       'see experimental section'
_diffrn_radiation_monochromator  'see experimental section'
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.59395
_diffrn_source                   'nuclear reactor'
_pd_meas_2theta_range_inc        0.050018
_pd_meas_2theta_range_max        159.95000
_pd_meas_2theta_range_min        0.05000
_pd_meas_number_of_points        3199
_pd_meas_scan_method             'see experimental section'
_pd_proc_2theta_range_inc        0.050018
_pd_proc_2theta_range_max        159.9201
_pd_proc_2theta_range_min        0.0201
_pd_proc_ls_prof_R_factor        3.1462
_pd_proc_ls_prof_wR_expected     2.4118
_pd_proc_ls_prof_wR_factor       4.1540
_pd_proc_wavelength              1.593945
_refine_ls_number_parameters     45
_refine_ls_number_reflns         244
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            2.7848
_cod_data_source_file            Cu26W2Ge6S32.cif
_cod_data_source_block           Cu26W2Ge6S32
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Cubic' was changed to
'cubic' in accordance with the built-in table derived from the CIF
Core dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_cell_volume        1194.323(20)
_cod_database_code               1568390
_pd_proc_ls_prof_cr_factor       9.6038
_pd_proc_ls_prof_cwr_factor      8.6649
_pd_proc_ls_prof_cwr_expected    5.0308
_pd_proc_ls_prof_chi2            2.9665
_pd_proc_ls_prof_echi2           3.0073