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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/09/9000980.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_9000980
loop_
_publ_author_name
'Swinnea, J. S.'
'Tenorio, A. J.'
'Steinfink, H.'
_publ_section_title
;
 Sb10S15, a Pb-free analogue of fueloeppite, Pb3Sb8S15
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1056
_journal_page_last               1058
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'S3 Sb1.966'
_chemical_name_mineral           Fuloppite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.8
_cell_angle_gamma                90
_cell_length_a                   13.393
_cell_length_b                   11.717
_cell_length_c                   16.737
_cell_formula_units_Z            20
_cell_volume                     2620.692
_database_code_amcsd             0001002
_exptl_crystal_density_diffrn    4.252
_cod_original_formula_sum        'Sb9.83 S15'
_cod_database_code               9000980
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-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
Sb1 0.37550 0.14500 0.49520 1.00000
Sb2 0.40910 0.18110 0.15360 1.00000
Sb3 0.08840 0.05230 0.41500 0.85200
Sb4 0.14150 0.24950 0.06370 1.00000
Sb5 0.30270 0.44450 0.34100 0.77300
Sb6 0.00000 0.39770 0.25000 0.58000
S1 0.35200 0.04420 0.25100 1.00000
S2 0.00000 0.81090 0.25000 1.00000
S3 0.26400 0.02640 0.03640 1.00000
S4 0.19120 0.24640 0.39500 1.00000
S5 0.46560 0.36400 0.46190 1.00000
S6 0.02840 0.41360 0.08780 1.00000
S7 0.07320 0.12950 0.16770 1.00000
S8 0.27390 0.32070 0.16180 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001002
