Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x
Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena; CrystEngComm 20 (2018) 348–; doi:10.1039/C7CE01865G

data_7229625
_publ_section_title
;
 Bringing order to large-scale disordered complex metal alloys:
 Gd2Au15&#x2212;xSbxand BaAuxGa12&#x2212;x
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              348
_journal_paper_doi               10.1039/C7CE01865G
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'Au4.38 Ba Ga7.62'
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_space_group_name_Hall           '-I 4 2c'
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_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker CCD'
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_exptl_absorpt_correction_T_max  0.04
_exptl_absorpt_correction_T_min  0.02
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_density_diffrn    10.123
_exptl_crystal_description       'irregular fragment'
_exptl_crystal_F_000             5102.8
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
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_refine_diff_density_min         -5.018
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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-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_hydrogen_treatment    undef
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_refine_ls_restrained_S_all      1.164
_refine_ls_R_factor_all          0.0939
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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^)+(0.0413P)^2^+1255.4324P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1587
_refine_ls_wR_factor_ref         0.1687
_reflns_Friedel_coverage         0.000
_reflns_number_gt                386
_reflns_number_total             508
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7229622--7229625.cif.'
_cod_original_cell_volume        2006.5(6)
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