'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_7246217
_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         'Cu2 S3 Sn'
_chemical_formula_structural     Cu2SnS3
_chemical_formula_sum            'Cu2 S3 Sn'
_chemical_formula_weight         341.997
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 109.515(8)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   6.6561(7)
_cell_length_b                   11.5249(15)
_cell_length_c                   6.6579(6)
_cell_measurement_temperature    293(2)
_cell_volume                     481.39(9)
_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        69.99980
_pd_meas_2theta_range_min        1.01267
_pd_meas_number_of_points        34500
_pd_proc_2theta_range_inc        0.001998
_pd_proc_2theta_range_max        70.0085
_pd_proc_2theta_range_min        1.0213
_pd_proc_ls_prof_R_factor        11.0378
_pd_proc_ls_prof_wR_expected     69.0367
_pd_proc_ls_prof_wR_factor       15.8952
_pd_proc_wavelength              0.727334
_refine_ls_number_parameters     12
_refine_ls_number_reflns         998
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            0.3321
_cod_data_source_file            Cu2SnS3_COD.cif
_cod_data_source_block           Cu2SnS3
_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 c'
_cod_database_code               7246217
_pd_proc_ls_prof_cr_factor       24.6153
_pd_proc_ls_prof_cwr_factor      25.7565
_pd_proc_ls_prof_cwr_expected    111.8671
_pd_proc_ls_prof_chi2            0.0530
_pd_proc_ls_prof_echi2           0.0548