#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2010454.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_2010454
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1995
_journal_volume 51
_journal_page_first  177
_journal_page_last  179
_publ_section_title
;
FeAl~3~Si~2~
;
loop_
_publ_author_name
  'Gueneau, C.'
  'Servant, C.'
  'd'Yvoire, F.'
  'Rodier, N.'
_chemical_formula_sum            'Al2.7 Fe Si2.3'
_[local]_cod_chemical_formula_sum_orig 'Fe Al2.7 Si2.3'
_chemical_formula_weight  193.28
_symmetry_cell_setting  tetragonal
_symmetry_space_group_name_H-M  'I 4/m c m'
_symmetry_space_group_name_Hall  '-I 4 2c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  'x,-y,1/2+z'
  '-x,y,1/2+z'
  '-y,-x,1/2+z'
  'y,x,1/2+z'
  '-x,-y,-z'
  '-x,-y,z'
  '-y,x,z'
  'y,-x,z'
  '-x,y,1/2-z'
  'x,-y,1/2-z'
  'y,x,1/2-z'
  '-y,-x,1/2-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,z'
  '1/2-y,1/2-x,z'
  '1/2+y,1/2+x,z'
  '1/2-x,1/2-y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  '1/2+y,1/2+x,-z'
  '1/2-y,1/2-x,-z'
_cell_length_a  6.0610(10)
_cell_length_b  6.0610(10)
_cell_length_c  9.5250(10)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  349.90(10)
_cell_formula_units_Z  4
_cell_measurement_temperature  294
_exptl_crystal_density_diffrn  3.67
_refine_ls_R_factor_obs  0.014
_refine_ls_wR_factor_obs  0.020
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Fe .00 .00 .25
  Al .00 .00 .00
  M .15216(8) .65216(8) .14546(7)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Fe Al . . 2.381 yes
  Fe M . 1_545 2.5074(4) yes
  Al Fe . . 2.381 yes
  Al M . 1_545 2.6861(5) yes
  M Fe . 1_565 2.5074(4) yes
  M Al . 1_565 2.6861(5) yes
  M M . 13 2.7144(7) yes
  M M . 25_565 2.6037(8) yes
  M M . 10_565 2.6086(5) yes
  M M . 2 2.7710(9) yes
_cod_database_code 2010454