#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011285.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_1011285
_chemical_name_systematic          'Iron arsenide (1/1)'
_chemical_name_mineral             'Westerveldite'
_chemical_compound_source          'synthetic at 1003 K for 1d'
_chemical_formula_structural       'Fe As'
_chemical_formula_sum              'As Fe'
_publ_section_title
;
Phosphides and arsenides with modified nickel-arsenide structure
;
loop_
_publ_author_name                  'Fylking, K E'
_journal_name_full                 'Arkiv foer Kemi, Mineralogi och Geologi, B'
_journal_coden_ASTM                ARKGBK
_journal_volume                    11
_journal_year                      1934
_journal_page_first                1
_journal_page_last                 6
_journal_issue                     48
_cell_length_a                     6.016
_cell_length_b                     5.428
_cell_length_c                     3.366
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       109.9
_cell_formula_units_Z              4
_exptl_crystal_density_meas        7.8
_symmetry_space_group_name_H-M     'P b n m'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,1/2+z'
  'x,y,1/2-z'
  '1/2-x,1/2+y,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    4 c 0.19 0.01 0.25 1.  0 d
  As1   As0    4 c 0.58 0.2 0.25 1.  0 d