Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te
Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver; Crystals 14 (2024) 789–; doi:10.3390/cryst14090789

data_1572810
_publ_contact_author
;
 Prof. Dr. 'Oliver Oeckler'
 Institute for Mineralogy, Crystallography and Materials Science
 Faculty of Chemistry and Mineralogy
 Leipzig University
 Scharnhorststr. 20
 04275 Leipzig, Germany
;
_publ_section_title
;
 Investigations of Some Disordered Quaternary Compounds in the Systems
 Ag/Pb/Sb/Se and Ag/Pb/Sb/Te
;
_journal_issue                   9
_journal_name_full               Crystals
_journal_page_first              789
_journal_paper_doi               10.3390/cryst14090789
_journal_volume                  14
_journal_year                    2024
_chemical_formula_moiety         'Ag0.33 Pb0.33 Sb0.33 Se'
_chemical_formula_sum            'Ag0.33 Pb0.33 Sb0.33 Se'
_chemical_formula_weight         224.56
_chemical_name_common            'silver antimony lead selenide'
_chemical_name_systematic        'silver antimony lead selenide'
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_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
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_cell_length_c                   5.9268(7)
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_cell_measurement_temperature    295(2)
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_cell_measurement_theta_min      1
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_computing_cell_refinement       'X-Area diffractometer software (Stoe)'
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_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Stoe Stadivari'
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_diffrn_radiation_type           AgK\a
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_diffrn_reflns_av_R_equivalents  0.0378
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_diffrn_reflns_limit_l_min       -9
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_diffrn_reflns_point_group_measured_fraction_full 0.947
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_diffrn_reflns_theta_min         4.701
_diffrn_source                   'microsource tube'
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_exptl_absorpt_process_details
'Robert H. Blessing, Acta Cryst. 1995. A51, 33 - 38'
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_exptl_transmission_factor_min   0.0125
_refine_diff_density_max         0.494
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_refine_ls_extinction_coef       0.0074(9)
_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   1.201
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     4
_refine_ls_number_reflns         40
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.201
_refine_ls_R_factor_all          0.0133
_refine_ls_R_factor_gt           0.0133
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0152P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0269
_refine_ls_wR_factor_ref         0.0269
_reflns_Friedel_coverage         0.000
_reflns_number_gt                40
_reflns_number_total             40
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            Ag0.33Pb0.33Sb0.33Se_FINAL.cif
_cod_data_source_block           Ag0.33Pb0.33Sb0.33Se
_cod_original_cell_volume        208.19(7)
_cod_database_code               1572810
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              3212
_shelx_hkl_checksum              99087