#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/88/1008826.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_1008826
loop_
_publ_author_name
'Koumina, A'
'Bacmann, M'
'Fruchart, D'
'Soubeyroux, J-L'
'Wolfers, P'
'Tobola, J'
'Kaprzyk, S'
'Niziol, S'
'Mesnaoui, M'
'Zach, R'
_publ_section_title
;
Crystallographic and magnetic properties of Fe2 P
;
_journal_coden_ASTM              ANCPAC
_journal_name_full               'Annales de Chimie (Paris) (Vol=Year)'
_journal_page_first              177
_journal_page_last               180
_journal_paper_doi               10.1016/S0151-9107(98)80050-0
_journal_volume                  23
_journal_year                    1998
_chemical_formula_structural     'Fe2 P'
_chemical_formula_sum            'Fe2 P'
_chemical_name_systematic        'Iron phosphide (2/1)'
_space_group_IT_number           189
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.69(6)
_cell_length_b                   5.69(6)
_cell_length_c                   3.458(2)
_cell_volume                     97.0
_refine_ls_R_factor_all          0.06
_cod_database_code               1008826
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_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 0.256(8) 0. 0. 1. 0 d
Fe2 Fe0 3 g 0.596(2) 0. 0.5 1. 0 d
P1 P0 1 b 0. 0. 0.5 1. 0 d
P2 P0 2 c 0.3333 0.6667 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Fe0 0.000
P0 0.000
