Crystal structures of cobalt aluminum silicide, Co~19+x~Al~43+y~Si~12- y~ (x = -0.14, y = 0.14; x = 0.49, y = -0.49), the γ phase in the Co-Al-Si system
Richter, K. W.; Prots, Yu.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 115–118; doi:

data_8102943
_publ_section_title
;
Crystal structures of cobalt aluminum silicide, Co~19+x~Al~43+y~Si~12-
y~ (x = -0.14, y = 0.14; x = 0.49, y = -0.49), the \g phase 
in the Co-Al-Si system
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              115
_journal_page_last               118
_journal_volume                  221
_journal_year                    2006
_chemical_formula_sum            'Al42.52 Co19.49 Si12.49'
_chemical_formula_weight         2646.01
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2006-05-23T12:00:00-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 123.630(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.025(2)
_cell_length_b                   19.173(2)
_cell_length_c                   12.8350(10)
_cell_measurement_temperature    293(2)
_cell_volume                     4103.1(8)
_computing_cell_refinement       'CSD (Akselrud, 1993)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295.15
_diffrn_detector_area_resol_mean 14.6199
_diffrn_measurement_details
;
scan:
    Number of images: 300
               Slice: 0.0000 - 180.0000
         Image width: 0.6000
            Exp time: 30.0000
       Rotation axis: Phi
               Omega: 0.0000
                 Chi: 0.0000
                 Phi: 0.0000
                 XTD: 40.2200
              2theta: -10.0000
scan:
    Number of images: 100
               Slice: -25.0000 - 35.0000
         Image width: 0.6000
            Exp time: 30.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: -90.0000
                 Phi: 5.0000
                 XTD: 40.2200
              2theta: -10.0000

;
_diffrn_measurement_device       'Rigaku AFC7'
_diffrn_measurement_method       oscillation
_diffrn_radiation_detector       'Mercury CCD'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.046
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12247
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         28.43
_diffrn_reflns_theta_min         1.92
_diffrn_source_current           40.0000
_diffrn_source_power             2.0000
_diffrn_source_voltage           50.0000
_exptl_absorpt_coefficient_mu    8.944
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7731
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            metallic
_exptl_crystal_density_diffrn    4.283
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             5014
_exptl_crystal_size_max          0.125
_exptl_crystal_size_mid          0.085
_exptl_crystal_size_min          0.055
_refine_diff_density_max         1.398
_refine_diff_density_min         -1.691
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_matrix_type           full
_refine_ls_number_parameters     359
_refine_ls_number_reflns         4169
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.062
_refine_ls_R_factor_gt           0.044
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0263P)^2^+22.4173P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.090
_refine_ls_wR_factor_ref         0.108
_reflns_number_gt                3083
_reflns_number_total             4169
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            409877.cff
_cod_data_source_block           AlCoSi_2a
_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 1555 2011-01-17 13:19:09Z saulius 
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_cod_original_cell_volume        4103.1(7)
_cod_original_sg_symbol_H-M      C12/c1
_cod_database_code               8102943