#------------------------------------------------------------------------------
#$Date: 2010-04-07 09:33:09 +0300 (Wed, 07 Apr 2010) $
#$Revision: 1238 $
#$URL: svn://www.crystallography.net/cod-tools/tests/inputs/cod-different-contents/1011335.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_1011335
_chemical_name_systematic          'Iron phosphide (2/1)'
_chemical_name_mineral             'Barringerite'
_chemical_compound_source          'synthetic'
_chemical_formula_structural       'Fe2 P'
_chemical_formula_sum              'Fe2 P'
_publ_section_title
;
The crystal structure of Fe2 P, Fe2 N, Fe3 N and Fe B.
;
loop_
_publ_author_name
  'Hendricks, S B'
  'Kosting, P R'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    74
_journal_year                      1930
_journal_page_first                511
_journal_page_last                 533
_cell_length_a                     5.852
_cell_length_b                     5.852
_cell_length_c                     3.453
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       102.4
_cell_formula_units_Z              3
_exptl_crystal_density_meas        6.83
_symmetry_space_group_name_H-M     'P -6 2 m'
_symmetry_Int_Tables_number        189
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'x,y,-z'
  '-y,x-y,-z'
  'y-x,-x,-z'
  'y,x,z'
  'x-y,-y,z'
  '-x,y-x,z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Fe0    0.000
  P0     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    3 f 0.26 0. 0. 1.  0 d
  Fe2   Fe0    3 g -0.4 0. 0.5 1.  0 d
  P1    P0     1 b 0. 0. 0.5 1.  0 d
  P2    P0     4 h 0.3333 0.6667 0.125 0.5  0 d
_cod_database_code 1011335
