#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1100044.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_1100044
_chemical_name_systematic          'Zinc sulfide'
_chemical_name_mineral             'Wurtzite'
loop_
_publ_author_name
  'Kisi, E H'
  'Elcombe, M M'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_volume                    45
_journal_year                      1989
_journal_page_first                1867
_journal_page_last                 1870
_cell_length_a                     3.8227(1)
_cell_length_b                     3.8227(1)
_cell_length_c                     6.2607(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       79.2
_cell_formula_units_Z              2
_exptl_crystal_density_meas        4.09
_symmetry_space_group_name_H-M     'P 63 m c'
_symmetry_Int_Tables_number        186
_symmetry_cell_setting             hexagonal
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'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Zn2+   2.000
  S2-   -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
  Zn1   Zn2+   2 b 0.3333 0.6667 0. 1.  0 d
  S1    S2-    2 b 0.3333 0.6667 0.3748(2) 1.  0 d
_refine_ls_R_factor_all            0.0575
_cod_database_code 1100044