The stability domain of the selenide kesterite photovoltaic materials and NMR investigation of the Cu/Zn disorder in Cu2ZnSnSe4 (CZTSe).
Choubrac, Léo; Lafond, Alain; Paris, Michaël; Guillot-Deudon, Catherine; Jobic, Stéphane; Physical chemistry chemical physics : PCCP 17 (2015) 15088–15092; doi:10.1039/c5cp01709b

data_7220526
_publ_section_title
;
 The stability domain of the selenide kesterite photovoltaic materials and
 NMR investigation of the Cu/Zn disorder in Cu2ZnSnSe4 (CZTSe).
;
_journal_issue                   23
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              15088
_journal_page_last               15092
_journal_paper_doi               10.1039/c5cp01709b
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'Cu2 Se4 Sn1 Zn1'
_chemical_formula_sum            'Cu2 Se4 Sn Zn'
_chemical_formula_weight         627
_chemical_name_common            CZTSe
_chemical_name_systematic        'Copper Zinc Tin selenide'
_space_group_IT_number           121
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_audit_update_record
;
2015-03-13 deposited with the CCDC.
2015-05-20 downloaded from the CCDC.
;
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'Jana2006  (Petricek, Dusek & Palatinus, 2000)'
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'  179 of Friedel pairs used in the refinement'
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'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.001936I^2^)
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.1090
_reflns_number_gt                411
_reflns_number_total             447
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c5cp01709b2.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 7220526.cif.'
_cod_original_cell_volume        367.965(6)
_cod_original_formula_sum        'Cu2 Se4 Sn1 Zn1'
_cod_database_code               7220526
_publcif_datablock.id            {39d8c2a1-9211-49ed-91f9-a9b50c322271}