#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011038.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_1011038
_chemical_name_systematic          'Nickel sulfide'
_chemical_name_mineral             'Millerite'
_chemical_compound_source          'from Wissen, river Sieg, Germany'
_chemical_formula_structural       'Ni S'
_chemical_formula_sum              'Ni S'
_publ_section_title
;
Roentgenographische Untersuchungen der Kristallstrukturen von
Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten
Verbindungen
;
loop_
_publ_author_name                  'Alsen, N'
_journal_name_full
;
Geologiska Foereningens i Stockholm Foerhandlingar
;
_journal_coden_ASTM                GFSFA4
_journal_volume                    47
_journal_year                      1925
_journal_page_first                19
_journal_page_last                 73
_cell_length_a                     5.64
_cell_length_b                     5.64
_cell_length_c                     5.64
_cell_angle_alpha                  116.6
_cell_angle_beta                   116.6
_cell_angle_gamma                  116.6
_cell_volume                       84.0
_cell_formula_units_Z              3
_exptl_crystal_density_meas        5.3
_symmetry_space_group_name_H-M     'R 3 m R'
_symmetry_Int_Tables_number        160
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,x,z'
  'y,z,x'
  'x,z,y'
  'z,x,y'
  'z,y,x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ni2+   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
  Ni1   Ni2+   3 b 0. 0.33 0. 1.  0 d
  S1    S2-    3 b 0.7 0.7 0.43 1.  0 d