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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/47/9004789.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_9004789
loop_
_publ_author_name
'Topa, D.'
'Makovicky, E.'
'Balic-Zunic T'
'Paar, W. H.'
_publ_section_title
;
 Kupcikite, Cu3.4Fe0.6Bi5S10, a new Cu-Bi sulfosalt from
 Felbertal, Austria, and its crystal structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1155
_journal_page_last               1166
_journal_paper_doi               10.2113/gscanmin.41.5.1155
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source        'Felbertal, Austria'
_chemical_formula_sum            'Bi5 Cu3.42 Fe0.58 S10'
_chemical_name_mineral           Kupcikite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.56
_cell_angle_gamma                90
_cell_length_a                   17.512
_cell_length_b                   3.9103
_cell_length_c                   12.869
_cell_formula_units_Z            2
_cell_volume                     835.401
_database_code_amcsd             0005882
_exptl_crystal_density_diffrn    6.421
_cod_original_formula_sum        'Cu3.42 Fe.58 Bi5 S10'
_cod_database_code               9004789
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-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
Cu1 0.40070 0.00000 0.47190 1.00000 0.04640
Cu2 0.21580 0.00000 0.06020 0.45000 0.03650
Fe2 0.21580 0.00000 0.06020 0.29000 0.03650
Cu3 0.19250 0.00000 0.06880 0.26000 0.03400
Bi1 0.50000 0.00000 0.00000 1.00000 0.03390
Bi2 0.41619 0.50000 0.22470 1.00000 0.03490
Bi3 0.19776 0.50000 0.33891 1.00000 0.03390
S1 0.54540 0.50000 0.16690 1.00000 0.03130
S2 0.34650 0.00000 0.02430 1.00000 0.03230
S3 0.26140 0.00000 0.24820 1.00000 0.03030
S4 0.48270 0.00000 0.36260 1.00000 0.03240
S5 0.33530 0.50000 0.49700 1.00000 0.02730
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005882
