#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/43/9014326.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_9014326
loop_
_publ_author_name
'Pekov, I. V.'
'Zubkova, N. V.'
'Lisitsyn, D. V.'
'Pushcharovsky, D. Y.'
_publ_section_title
;
 Crystal chemistry of murunskite
;
_journal_name_full               'Doklady Earth Sciences'
_journal_page_first              139
_journal_page_last               141
_journal_paper_doi               10.1134/S1028334X09010292
_journal_volume                  424
_journal_year                    2009
_chemical_compound_source        'Murun pluton, Eastern Siberia, Russia'
_chemical_formula_sum            'Cu1.48 Fe0.54 K0.737 S2'
_chemical_name_mineral           Murunskite
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.8460
_cell_length_b                   3.8460
_cell_length_c                   13.308
_cell_formula_units_Z            2
_cell_volume                     196.848
_database_code_amcsd             0017729
_exptl_crystal_density_diffrn    3.664
_cod_original_formula_sum        'K.737 Cu1.48 Fe.54 S2'
_cod_database_code               9014326
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,-x,z
1/2-y,1/2-x,1/2+z
y,x,-z
1/2+y,1/2+x,1/2-z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
y,x,z
1/2+y,1/2+x,1/2+z
-y,-x,-z
1/2-y,1/2-x,1/2-z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
K 0.00000 0.00000 0.00000 0.73700 0.03670
Cu 0.00000 0.50000 0.25000 0.74000 0.02230
FeCu 0.00000 0.50000 0.25000 0.27000 0.02230
S 0.00000 0.00000 0.35177 1.00000 0.01880
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017729
