#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011349.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_1011349
_chemical_name_systematic          'Zinc arsenide'
_chemical_formula_structural       'Zn3 As2'
_chemical_formula_sum              'As2 Zn3'
_publ_section_title
;
Untersuchungen an den Phosphiden und Arseniden des Zinks und Cadmiums.
Das Zn3 P3 - 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                     8.316(20)
_cell_length_b                     8.316
_cell_length_c                     11.76(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       813.3
_cell_formula_units_Z              8
_exptl_crystal_density_meas        5.58
_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
  Zn2+   2.000
  As3-  -3.000
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
  Zn1   Zn2+   8 g 0. 0.217 0.103 1.  0 d
  Zn2   Zn2+   8 g 0. 0.283 0.386 1.  0 d
  Zn3   Zn2+   8 g 0. 0.25 0.647 1.  0 d
  As1   As3-   4 c 0. 0. 0.25 1.  0 d
  As2   As3-   4 d 0. 0.5 0.239 1.  0 d
  As3   As3-   8 f 0.261 0.261 0. 1.  0 d
_cod_database_code 1011349