#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/42/8104265.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_8104265
loop_
_publ_author_name
'Kolkmeijer, N.H.'
'Moesveld, A.L.T.'
_publ_section_title
;
 Ueber die Dichte und Struktur des Millerits (rhomboedrischen
 Nickelsulfids)
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              91
_journal_page_last               102
_journal_volume                  80
_journal_year                    1931
_chemical_formula_sum            'Ni S'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   9.476
_cell_length_b                   9.476
_cell_length_c                   3.148
_cell_volume                     244.802
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Kolkmeijer_ZEKGAX_1931_1003.cif
_cod_data_source_block           Ni1S1
_cod_original_cell_volume        244.8023
_cod_original_formula_sum        'Ni1 S1'
_cod_database_code               8104265
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
S1 S-2 0.118 0.882 0.596 1 0.0
Ni1 Ni+2 0.912 0.088 0.088 1 0.0
