Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties
Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai; New Journal of Chemistry 48 (2024) 11129–11139; doi:10.1039/D4NJ00989D

data_7063250
_publ_section_title
;
 Syntheses of a series of BaCu2&#x2212;xAgxSe2 (x = 0 -- 1.0) selenides
 and evaluation of their thermoelectric properties
;
_journal_issue                   24
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11129
_journal_page_last               11139
_journal_paper_doi               10.1039/D4NJ00989D
_journal_volume                  48
_journal_year                    2024
_chemical_formula_sum            'Ba Cu2 Se2'
_chemical_formula_weight         422.34
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2024-02-13 deposited with the CCDC.	2024-05-20 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_source                   'micro-focus sealed X-ray tube'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.053
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_refine_ls_R_factor_gt           0.0213
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0104P)^2^+0.4648P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4nj00989d2.cif
_cod_data_source_block           BaCu2Se2
_cod_depositor_comments
'Adding full bibliography for 7063250--7063254.cif.'
_cod_database_code               7063250
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_exptl_absorpt_special_details   SADABS-2016/2
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