#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2010455.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_2010455
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_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  'Fe Al2.7 Si2.3'
_chemical_formula_weight  193.28
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P b c n'
_symmetry_space_group_name_Hall  '-P 2n 2ab'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-1/2-x,-1/2-y,-1/2+z'
  'x,-y,1/2+z'
  '-x,+y,-1/2-z'
  '1/2-x,1/2+y,z'
  '-1/2+x,-1/2-y,-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  0.034
_refine_ls_wR_factor_obs  0.037
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Fe .00 .0109(4) .25
  Al(1) .00 .00 .00
  Al(2) .1418(8) .6345(8) .8623(3)
  Si .1613(8) .6687(6) .1526(3)
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(1) . . 2.38220(10)
  yes
  Fe Al(2) . 2_566 2.550(5) yes
  Fe Al(2) . 4_665 2.576(5) yes
  Fe Si . 1_545 2.474(4) yes
  Fe Si . 3_445 2.448(4) yes
  Al(2) Fe . 2_566 2.550(5) yes
  Al(2) Fe . 4_666 2.576(5) yes
  Al(2) Al(1) . 2_566 2.714(4) yes
  Al(2) Al(1) . 8_666 2.664(4) yes
  Al(2) Al(2) . 6_557 2.745(5) yes
  Al(2) Si . 5_565 2.717(5) yes
  Al(2) Si . 4_676 2.615(5) yes
  Al(2) Si . 2_566 2.602(6) yes
  Al(2) Si . 1_556 2.775(4) yes
  Al(1) Fe . . 2.38220(10)
  yes
  Al(1) Al(2) . 1_544 2.714(4) yes
  Al(1) Al(2) . 8_566 2.664(4) yes
  Al(1) Si . 1_545 2.665(4) yes
  Al(1) Si . 8_565 2.715(4) yes
  Si Fe . 1_565 2.474(4) yes
  Si Fe . 3 2.448(4) yes
  Si Al(1) . 1_565 2.665(4) yes
  Si Al(1) . 8_665 2.715(4) yes
  Si Si . 6_556 2.696(6) yes
  Si Al(2) . 5_564 2.717(5) yes
  Si Al(2) . 4_675 2.615(5) yes
  Si Al(2) . 2_566 2.602(6) yes
  Si Al(2) . 1_554 2.775(4) yes