#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/12/1011285.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
loop_
_publ_author_name
'Fylking, K E'
_publ_section_title
;
Phosphides and arsenides with modified nickel-arsenide structure
;
_journal_coden_ASTM              ARKGBK
_journal_issue                   48
_journal_name_full               'Arkiv foer Kemi, Mineralogi och Geologi, B'
_journal_page_first              1
_journal_page_last               6
_journal_volume                  11
_journal_year                    1934
_chemical_compound_source        'synthetic at 1003 K for 1d'
_chemical_formula_structural     'Fe As'
_chemical_formula_sum            'As Fe'
_chemical_name_mineral           Westerveldite
_chemical_name_systematic        'Iron arsenide (1/1)'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.016
_cell_length_b                   5.428
_cell_length_c                   3.366
_cell_volume                     109.9
_exptl_crystal_density_meas      7.8
_cod_database_code               1011285
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Fe0 0.000
As0 0.000
