#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011298.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_1011298
_chemical_name_systematic          'Iron arsenide (2/1)'
_chemical_formula_structural       'Fe2 As'
_chemical_formula_sum              'As Fe2'
_publ_section_title                'The crystal structure of Cu2 Sb and Fe2 As'
loop_
_publ_author_name
  'Elander, M'
  'Haegg, G'
  'Westgren, A'
_journal_name_full                 'Arkiv foer Kemi, Mineralogi och Geologi, B'
_journal_coden_ASTM                ARKGBK
_journal_volume                    12
_journal_year                      1935
_journal_page_first                1
_journal_page_last                 6
_cell_length_a                     3.627
_cell_length_b                     3.627
_cell_length_c                     5.973
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       78.6
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 4/n m m S'
_symmetry_Int_Tables_number        129
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,-z'
  '-x,y,z'
  'x,-y,z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  '-y,x,-z'
  'y,-x,-z'
  '1/2-y,1/2+x,z'
  '1/2+y,1/2-x,z'
  'y,x,-z'
  '-y,-x,-z'
  '1/2+y,1/2+x,z'
  '1/2-y,1/2-x,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Fe0    0.000
  As0    0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Fe1   Fe0    2 a 0. 0. 0. 1.  0 d
  Fe2   Fe0    2 c 0. 0.5 0.33 1.  0 d
  As1   As0    2 c 0. 0.5 -0.265 1.  0 d