RE(AuAl2)nAl2(AuxSi1-x)2: A New Homologous Series of Quaternary Intermetallics Grown from Aluminum Flux
Susan E. Latturner; Mercouri G. Kanatzidis; Inorganic Chemistry 47 (2008) 2089–2097; doi:10.1021/ic701799z

data_4304324
_publ_contact_author
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M. G. Kanatzidis
;
_publ_contact_author_email       ' m-kanatzidis@northwestern.edu '
_publ_section_title
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RE(AuAl2)nAl2(AuxSi1-x)2: A New Homologous Series of Quaternary
Intermetallics Grown from Aluminum Flux
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2089
_journal_page_last               2097
_journal_paper_doi               10.1021/ic701799z
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'Al6 Au2.91 Si1.09 Yb'
_chemical_formula_weight         938.22
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
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_cell_length_b                   4.2065(4)
_cell_length_c                   22.893(3)
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_computing_cell_refinement       'Bruker SAINT software (Bruker, 1999)'
_computing_data_collection       'Bruker SMART software (Bruker, 1997)'
_computing_data_reduction        'Bruker SAINT software (Bruker, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.919
_diffrn_measured_fraction_theta_max 0.919
_diffrn_measurement_device_type  'CCD area detector (Bruker AXS)'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0560
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_diffrn_reflns_theta_full        37.20
_diffrn_reflns_theta_max         37.20
_diffrn_reflns_theta_min         11.78
_exptl_absorpt_coefficient_mu    66.298
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            reddish
_exptl_crystal_density_diffrn    7.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             798
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
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_refine_ls_extinction_coef       0.0044(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_restrained_S_all      1.036
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0349P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0574
_refine_ls_wR_factor_ref         0.0582
_reflns_number_gt                316
_reflns_number_total             339
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701799z-file001_08.cif
_cod_data_source_block           4sl46a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
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_cod_original_cell_volume        405.09(8)
_cod_database_code               4304324