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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/06/9010632.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_9010632
loop_
_publ_author_name
'Zaccarini, F.'
'Thalhammer, O. A. R.'
'Princivalle, F.'
'Lenaz, D.'
'Stanley, C. J.'
'Garuti, G.'
_publ_section_title
;
 Djerfisherite in the Guli dunite complex, Polar Siberia: a primary or
 metasomatic phase?
 Note: Occupancy of Cl1 was changed from S1 to reproduce chemical formula
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1201
_journal_page_last               1211
_journal_paper_doi               10.2113/gscanmin.45.5.1201
_journal_volume                  45
_journal_year                    2007
_chemical_compound_source        'Guli dunite complex, Polar Siberia, Russia'
_chemical_formula_sum            'Cl Cu Fe24 K6 S26'
_chemical_name_mineral           Djerfisherite
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.385
_cell_length_b                   10.385
_cell_length_c                   10.385
_cell_formula_units_Z            1
_cell_volume                     1120.004
_database_code_amcsd             0006153
_exptl_crystal_density_diffrn    3.718
_cod_original_formula_sum        'K6 Cu Fe24 S26 Cl'
_cod_database_code               9010632
loop_
_space_group_symop_operation_xyz
x,y,z
z,-x,y
-y,z,-x
x,-y,z
-z,x,-y
y,-z,x
-x,y,-z
x,-z,-y
-z,y,x
y,-x,-z
-x,z,y
z,-y,-x
-y,x,z
x,z,y
-z,-y,-x
y,x,z
-x,-z,-y
z,y,x
-y,-x,-z
z,x,-y
-y,-z,x
x,y,-z
-z,-x,y
y,z,-x
-x,-y,z
-z,x,y
y,-z,-x
-x,y,z
z,-x,-y
-y,z,x
x,-y,-z
-x,z,-y
z,-y,x
-y,x,-z
x,-z,y
-z,y,-x
y,-x,z
-x,-z,y
z,y,-x
-y,-x,z
x,z,-y
-z,-y,x
y,x,-z
-z,-x,-y
y,z,x
-x,-y,-z
z,x,y
-y,-z,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K 0.00000 0.00000 0.29846 0.03400
Cu 0.50000 0.50000 0.50000 0.04500
Fe 0.13537 0.36721 0.36721 0.03000
S2 0.24813 0.50000 0.00000 0.02900
S3 0.50000 0.50000 0.25909 0.02500
S4 0.22800 0.22800 0.22800 0.03000
Cl1 0.00000 0.00000 0.00000 0.02600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006153
