#------------------------------------------------------------------------------
#$Date: 2016-01-01 14:49:48 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172441 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/73/2107329.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_2107329
loop_
_publ_author_name
'Romming, C.'
'Hansen, V.'
'Gjonnes, J.'
_publ_section_title
;
 Crystal structure of beta-Al4.5 Fe Si
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              307
_journal_page_last               312
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Al9 Fe2 Si2'
_chemical_name_systematic        'Al9 Fe2 Si2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.42
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.813
_cell_length_b                   6.175
_cell_length_c                   6.161
_cell_volume                     791.792
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Romming_ASBSDK_1994_925.cif
_cod_data_source_block           Al9Fe2Si2
_cod_original_cell_volume        791.7921
_cod_database_code               2107329
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
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
Al1 Al 0.25 0.25 0 0.818 0.0
Al6 Al 0.1836 0.9 0.1526 0.818 0.0
Si5 Si 0.0181 0.7334 0.4972 0.182 0.0
Al2 Al 0.1863 0.3938 0.3583 0.818 0.0
Si6 Si 0.1836 0.9 0.1526 0.182 0.0
Fe1 Fe 0.13671 0.7395 0.5024 1 0.0
Si4 Si 0.0908 0.5833 0.1669 0.182 0.0
Si1 Si 0.25 0.25 0 0.182 0.0
Al5 Al 0.0181 0.7334 0.4972 0.818 0.0
Al3 Al 0.0897 0.0884 0.3387 0.818 0.0
Si2 Si 0.1863 0.3938 0.3583 0.182 0.0
Al4 Al 0.0908 0.5833 0.1669 0.818 0.0
Si3 Si 0.0897 0.0884 0.3387 0.182 0.0