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#$Date: 2021-04-22 20:34:01 +0300 (Thu, 22 Apr 2021) $
#$Revision: 264423 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/59/9015995.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015995
loop_
_publ_author_name
'Ondrus, P.'
'Veselovsky, F.'
'Gabasova, A.'
'Hlousek, J.'
'Srein, V.'
'Vavrnn, I.'
'Skala, R.'
'Sejkora, J.'
'Drabek, M.'
_publ_section_title
;
 Primary minerals of the Jachymov ore district
 Sample MP511
;
_journal_name_full               'Journal of the Czech Geological Society'
_journal_page_first              19
_journal_page_last               147
_journal_volume                  48
_journal_year                    2003
_chemical_compound_source        'Jachymov, Bohemia, Czech Republic'
_chemical_formula_sum            'As Co0.01 Ni0.97 S0.02'
_chemical_name_mineral           Nickelite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.6190
_cell_length_b                   3.6190
_cell_length_c                   5.036
_cell_volume                     57.121
_database_code_amcsd             0017594
_exptl_crystal_density_diffrn    7.738
_cod_depositor_comments
;
 Added the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2021-04-22
;
_cod_original_formula_sum        'Ni.97 Co.01 As S.02'
_cod_database_code               9015995
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x-y,x,1/2+z
-y,-x,z
-y,x-y,z
x-y,-y,1/2+z
-x,-y,1/2+z
x,x-y,z
-x+y,-x,z
y,x,1/2+z
y,-x+y,1/2+z
-x+y,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni 0.00000 0.00000 0.00000 0.97000
Co 0.00000 0.00000 0.00000 0.01000
As 0.33333 0.66667 0.25000 1.00000
S 0.33333 0.66667 0.25000 0.02000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017594
