#------------------------------------------------------------------------------
#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/10/1011038.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
loop_
_publ_author_name
'Alsen, N'
_publ_section_title
;
Roentgenographische Untersuchungen der Kristallstrukturen von
Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten
Verbindungen
;
_journal_coden_ASTM              GFSFA4
_journal_name_full
;
Geologiska Foereningens i Stockholm Foerhandlingar
;
_journal_page_first              19
_journal_page_last               73
_journal_volume                  47
_journal_year                    1925
_chemical_compound_source        'from Wissen, river Sieg, Germany'
_chemical_formula_structural     'Ni S'
_chemical_formula_sum            'Ni S'
_chemical_name_mineral           Millerite
_chemical_name_systematic        'Nickel sulfide'
_space_group_IT_number           160
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                116.6
_cell_angle_beta                 116.6
_cell_angle_gamma                116.6
_cell_formula_units_Z            3
_cell_length_a                   5.64
_cell_length_b                   5.64
_cell_length_c                   5.64
_cell_volume                     84.0
_exptl_crystal_density_meas      5.3
_[local]_cod_cif_authors_sg_H-M  'R 3 m R'
_cod_database_code               1011038
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ni2+ 2.000
S2- -2.000