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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/62/2106287.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106287
loop_
_publ_author_name
'Corby, R.N.'
'Black, P.J.'
_publ_section_title
;
 The structure of alpha-(Al Fe Si) by anomalous dispersion methods
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3468
_journal_page_last               3475
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Al167.8 Fe44.9 Si23.9'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   12.404
_cell_length_b                   12.404
_cell_length_c                   26.234
_cell_volume                     3495.575
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Corby_ACBCAR_1977_757.cif
_cod_data_source_block           Al167.8Fe44.9Si23.9
_cod_database_code               2106287
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Al14 Al 0.8384 0.6768 0.25 0.875 0.0
Al10 Al 0.0693 0.1386 0.0766 0.875 0.0
Al17 Al 0.4195 0.839 0.25 0.28 0.0
Fe4 Fe 0.2084 0.4168 0.25 0.99 0.0
Fe5 Fe 0.3333 0.6667 0.0995 1 0.0
Al2 Al 0.3315 0.3425 0.198 0.866 0.0
Al6 Al 0.4533 0.9066 0.1063 0.875 0.0
Al18 Al 0.3333 0.6667 0.25 0.254 0.0
Si13 Si 0.573 0.146 0.25 0.12 0.0
Al15 Al 0.0921 0.1842 0.25 0.814 0.0
Si6 Si 0.4533 0.9066 0.1063 0.125 0.0
Al3 Al 0.3726 0 0 0.866 0.0
Al12 Al 0.2521 0.5042 0.1652 0.875 0.0
Si16 Si 0.4423 0.8846 0.25 0.083 0.0
Si14 Si 0.8384 0.6768 0.25 0.125 0.0
Al8 Al 0.5968 0.1936 0.0814 0.875 0.0
Si10 Si 0.0693 0.1386 0.0766 0.125 0.0
Si8 Si 0.5968 0.1936 0.0814 0.125 0.0
Si4 Si 0.1105 0.221 0.9824 0.126 0.0
Si18 Si 0.3333 0.6667 0.25 0.036 0.0
Al7 Al 0.0835 0.167 0.8319 0.849 0.0
Si9 Si 0.2025 0.405 0.0683 0.131 0.0
Fe2 Fe 0.1305 0.261 0.1503 1 0.0
Si5 Si 0.4041 0.8082 0.0169 0.126 0.0
Si1 Si 0.3467 0.2906 0.1027 0.126 0.0
Al13 Al 0.573 0.146 0.25 0.84 0.0
Fe1 Fe 0.5406 0.0812 0.1601 0.99 0.0
Al16 Al 0.4423 0.8846 0.25 0.578 0.0
Al11 Al 0.2513 0.5026 0.8263 0.893 0.0
Al4 Al 0.1105 0.221 0.9824 0.884 0.0
Al9 Al 0.2025 0.405 0.0683 0.919 0.0
Si2 Si 0.3315 0.3425 0.198 0.124 0.0
Si15 Si 0.0921 0.1842 0.25 0.116 0.0
Si11 Si 0.2513 0.5026 0.8263 0.128 0.0
Al1 Al 0.3467 0.2906 0.1027 0.884 0.0
Al5 Al 0.4041 0.8082 0.0169 0.884 0.0
Si7 Si 0.0835 0.167 0.8319 0.121 0.0
Si17 Si 0.4195 0.839 0.25 0.04 0.0
Si12 Si 0.2521 0.5042 0.1652 0.125 0.0
Fe3 Fe 0.216 0.432 0.9693 1 0.0
Si3 Si 0.3726 0 0 0.124 0.0
