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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/17/9011754.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_9011754
loop_
_publ_author_name
'Pohl, D.'
'Liessmann, W.'
'Okrugin, V. M.'
_publ_section_title
;
 Rietveld analysis of selenium-bearing goldfieldites
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              1
_journal_page_last               8
_journal_volume                  1996
_journal_year                    1996
_chemical_compound_source        'Ozernoya deposit, Kamchatka, Russia'
_chemical_formula_sum
'As0.2 Bi0.1 Cu10.002 S11.7 Sb0.9 Se0.6 Te2.8'
_chemical_name_mineral           Goldfieldite
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.341
_cell_length_b                   10.341
_cell_length_c                   10.341
_cell_formula_units_Z            2
_cell_volume                     1105.828
_database_code_amcsd             0014880
_exptl_crystal_density_diffrn    4.688
_cod_original_formula_sum        'Cu10.002 (Te2.8 Sb.9 As.2 Bi.1) S11.7 Se.6'
_cod_database_code               9011754
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-z,x,-y
1/2-z,1/2+x,1/2-y
-y,z,-x
1/2-y,1/2+z,1/2-x
-x,y,-z
1/2-x,1/2+y,1/2-z
x,-z,-y
1/2+x,1/2-z,1/2-y
z,-y,-x
1/2+z,1/2-y,1/2-x
y,-x,-z
1/2+y,1/2-x,1/2-z
x,z,y
1/2+x,1/2+z,1/2+y
z,y,x
1/2+z,1/2+y,1/2+x
y,x,z
1/2+y,1/2+x,1/2+z
-z,-x,y
1/2-z,1/2-x,1/2+y
-y,-z,x
1/2-y,1/2-z,1/2+x
-x,-y,z
1/2-x,1/2-y,1/2+z
z,-x,-y
1/2+z,1/2-x,1/2-y
y,-z,-x
1/2+y,1/2-z,1/2-x
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,z,-y
1/2-x,1/2+z,1/2-y
-z,y,-x
1/2-z,1/2+y,1/2-x
-y,x,-z
1/2-y,1/2+x,1/2-z
-x,-z,y
1/2-x,1/2-z,1/2+y
-z,-y,x
1/2-z,1/2-y,1/2+x
-y,-x,z
1/2-y,1/2-x,1/2+z
z,x,y
1/2+z,1/2+x,1/2+y
y,z,x
1/2+y,1/2+z,1/2+x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1 0.25000 0.50000 0.00000 1.00000
Cu2 0.20800 0.00000 0.00000 0.66700
Te 0.26080 0.26080 0.26080 0.70000
Sb 0.26080 0.26080 0.26080 0.22500
As 0.26080 0.26080 0.26080 0.05000
Bi 0.26080 0.26080 0.26080 0.02500
S1 0.10700 0.10700 0.35400 0.95000
Se1 0.10700 0.10700 0.35400 0.05000
S2 0.00000 0.00000 0.00000 0.30000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014880
