'Ordered sphalerite derivative Cu5Sn2S7: a degenerate semiconductor with high carrier mobility in the Cu-Sn-S diagram'
Pavan Kumar, V.; Lemoine, P.; Carnevali, V.; Guelou, G.; Lebedev, O.I.; Boullay, P.; Raveau, B.; Al Rahal Al Orabi, R.; Fornari, M.; Prestipino, C.; Menut, D.; Candolfi, C.; Malaman, B.; Juraszek, J.; Guilmeau, E.; Journal of Materials Chemistry A 9 (2021) 10812–10826; doi:10.1039/d1ta01615f

data_7246218
_publ_section_title
;
 'Ordered sphalerite derivative Cu5Sn2S7: a degenerate semiconductor with
 high carrier mobility in the Cu-Sn-S diagram'
;
_journal_issue                   17
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              10812
_journal_page_last               10826
_journal_paper_doi               10.1039/d1ta01615f
_journal_volume                  9
_journal_year                    2021
_chemical_formula_moiety         'Cu5 S7 Sn2'
_chemical_formula_structural     Cu5Sn2S7
_chemical_formula_sum            'Cu5 S7 Sn2'
_chemical_formula_weight         779.605
_space_group_IT_number           5
_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 98.163(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   12.0580(4)
_cell_length_b                   5.40629(17)
_cell_length_c                   8.5026(3)
_cell_measurement_temperature    293(2)
_cell_volume                     548.66(3)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           'MARS beamline, SOLEIL'
_diffrn_radiation_wavelength     0.72733
_diffrn_source                   Synchrotron
_pd_meas_2theta_range_inc        0.001998
_pd_meas_2theta_range_max        69.99970
_pd_meas_2theta_range_min        1.01274
_pd_meas_number_of_points        34500
_pd_proc_2theta_range_inc        0.001998
_pd_proc_2theta_range_max        70.0137
_pd_proc_2theta_range_min        1.0267
_pd_proc_ls_prof_R_factor        8.7422
_pd_proc_ls_prof_wR_expected     60.8012
_pd_proc_ls_prof_wR_factor       11.3674
_pd_proc_wavelength              0.727334
_refine_ls_number_parameters     40
_refine_ls_number_reflns         1398
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            3.3425
_cod_data_source_file            Cu5Sn2S7_COD.cif
_cod_data_source_block           Cu5Sn2S7
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' 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_sg_symbol_H-M      'C 2'
_cod_database_code               7246218
_pd_proc_ls_prof_cr_factor       18.4620
_pd_proc_ls_prof_cwr_factor      18.3186
_pd_proc_ls_prof_cwr_expected    97.9813
_pd_proc_ls_prof_chi2            0.0350
_pd_proc_ls_prof_echi2           0.0355