#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/02/1010287.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_1010287
_chemical_name_systematic          'Zinc phosphide'
_chemical_formula_structural       'Zn3 P2'
_chemical_formula_sum              'P2 Zn3'
_publ_section_title
;
Untersuchungen an den Phosphiden und Arseniden des Zinks und Cadmiums.
Das Zn~3~ P~2~ - Gitter.
;
_space_group_IT_number           137
_symmetry_space_group_name_Hall  'P 4n 2n -1n'
_symmetry_space_group_name_H-M   'P 42/n m c :1'
_[local]_cod_cif_authors_sg_H-M  'P 42/n m c S'
loop_
_publ_author_name
  'Stackelberg, M von'
  'Paulus, R'
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_coden_ASTM                ZPCBAL
_journal_volume                    28
_journal_year                      1935
_journal_page_first                427
_journal_page_last                 460
_cell_length_a                     8.097(20)
_cell_length_b                     8.097(20)
_cell_length_c                     11.45(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       750.7
_cell_formula_units_Z              8
_exptl_crystal_density_meas        4.49(28)
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2-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'
  '-y,x,-z'
  'y,-x,-z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  'y,x,-z'
  '-y,-x,-z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  P3-   -3.000
  Zn2+   2.000
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
  P1    P3-    4 c 0. 0. 0.25(1) 1.  0 d
  P2    P3-    4 d 0. 0.5 0.239(10) 1.  0 d
  P3    P3-    8 f 0.261(10) 0.261(10) 0. 1.  0 d
  Zn1   Zn2+   8 g 0. 0.217(8) 0.103(12) 1.  0 d
  Zn2   Zn2+   8 g 0. 0.283(8) 0.386(12) 1.  0 d
  Zn3   Zn2+   8 g 0. 0.250(8) 0.647(12) 1.  0 d
_cod_database_code 1010287