#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/38/1533819.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1533819
loop_
_publ_author_name
'Sugiyama, K.'
'Kaji, N.'
'Hiraga, K.'
_publ_section_title
;
 Crystal structure of rhombohedral lambda-(Al Fe Si)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              251
_journal_page_last               255
_journal_volume                  368
_journal_year                    2004
_chemical_formula_sum            'Al77.69 Fe25.46 Si19.85'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   10.222
_cell_length_b                   10.222
_cell_length_c                   19.667
_cell_volume                     1779.674
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Sugiyama_JALCEU_2004_1431.cif
_cod_data_source_block           Al77.69Fe25.46Si19.85
_cod_database_code               1533819
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
Si4 Si 0.12015 0.36035 0.66336 0.023 0.0
Al6 Al 0.37833 0.83868 0.77917 0.977 0.0
Fe2 Fe 0 0 0.79313 1 0.0
Si1 Si 0 0 0 0.012 0.0
Al3 Al 0.12015 0.36035 0.66336 0.977 0.0
Si7 Si 0.37833 0.83868 0.77917 0.023 0.0
Al5 Al 0.88076 0.33253 0.87132 0.977 0.0
Al2 Al 0 0 0.61541 0.977 0.0
Fe3 Fe 0.91626 0.33763 0.7424 1 0.0
Si2 Si 0 0 0.61541 0.023 0.0
Fe1 Fe 0 0 0 0.493 0.0
Si6 Si 0.88076 0.33253 0.87132 0.023 0.0
Si5 Si 0.84628 0.06579 0.71167 0.023 0.0
Al4 Al 0.84628 0.06579 0.71167 0.977 0.0
Al1 Al 0 0 0 0.495 0.0
Si3 Si 0.066 0.24965 0.79432 1 0.0
