#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/88/1008867.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_1008867
_chemical_name_systematic          'Chromium phosphide (2/1)'
_chemical_formula_structural       'Cr2 P'
_chemical_formula_sum              'Cr2 P'
_publ_section_title
;
La structure cristalline de Cr2 P: Distorsion orthorhombique de la
structure hexagonale de type Fe2 P
;
loop_
_publ_author_name
  'Artigas, M'
  'Bacmann, M'
  'Fruchart, D'
  'Fruchart, R'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    123
_journal_year                      1996
_journal_page_first                306
_journal_page_last                 312
_cell_length_a                     6.6097(1)
_cell_length_b                     10.4023(2)
_cell_length_c                     6.3371(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       435.7
_cell_formula_units_Z              12
_symmetry_space_group_name_H-M     'I m m 2'
_symmetry_Int_Tables_number        44
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cr0    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
  Cr1   Cr0    2 a 0. 0. 0.3813(10) 1.  0 d
  Cr2   Cr0    2 b 0. 0.5 0.9392(10) 1.  0 d
  Cr3   Cr0    4 d 0.5 0.2896(4) 0.3462(10) 1.  0 d
  Cr4   Cr0    4 d 0. 0.2908(4) 0.2681(8) 1.  0 d
  Cr5   Cr0    4 c 0.2055(5) 0. 0.7412(6) 1.  0 d
  Cr6   Cr0    8 e 0.2892(4) 0.1245(2) 0.1280(5) 1.  0 d
  P1    P0     2 a 0. 0. 0.0274(8) 1.  0 d
  P2    P0     2 b 0. 0.5 0.4274(8) 1.  0 d
  P3    P0     8 e 0.2680(3) 0.3337(2) 0. 1.  0 d
_refine_ls_R_factor_all            0.033
_cod_database_code 1008867