#------------------------------------------------------------------------------
#$Date: 2010-04-11 07:29:42 +0100 (Sun, 11 Apr 2010) $
#$Revision: 1082 $
#$URL: svn://www.crystallography.net/cod/cif/1/1011216.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_1011216
loop_
_publ_author_name
'Hendricks, S. B.'
'Kosting, P. R.'
_publ_section_title
;
 The crystal structure of Fe2P, Fe2N, Fe3N and FeB
 Locality: synthetic
 Note: forms solid solution with siderazot
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              511
_journal_page_last               533
_journal_volume                  74
_journal_year                    1930
_chemical_compound_source        synthetic
_chemical_formula_structural     'Fe2 N'
_chemical_formula_sum            'Fe2 N'
_chemical_name_mineral           Siderazot
_chemical_name_systematic        'Iron nitride (2/1)'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      149
_symmetry_space_group_name_H-M   'P 3 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.793
_cell_length_b                   4.793
_cell_length_c                   4.417
_cell_volume                     87.9
_exptl_crystal_density_meas      6.35
_cod_database_code               1011216
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-y,-x,-z
y-x,y,-z
x,x-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 Fe2+ 6 l 0. 0.3333 0.25 1. 0 d
N1 N3- 1 a 0. 0. 0. 1. 0 d
N2 N3- 1 c 0.3333 0.6667 0. 1. 0 d
N3 N3- 1 f 0.6667 0.3333 0.5 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Fe2+ 1.500
N3- -3.000