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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009342.cif $
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#
# 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_9009342
loop_
_publ_author_name
'Bonazzi, P.'
'Menchetti, S.'
'Sabelli, C.'
_publ_section_title
;
 Structure refinement of kermesite: symmetry, twinning, and comparison with stibnite
 Locality: Braunsdorf, Czechoslovakia
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              557
_journal_page_last               567
_journal_volume                  1987
_journal_year                    1987
_chemical_formula_sum            'O S2 Sb2'
_chemical_name_mineral           Kermesite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.78
_cell_angle_beta                 110.63
_cell_angle_gamma                101.00
_cell_length_a                   8.147
_cell_length_b                   10.709
_cell_length_c                   5.785
_cell_volume                     440.229
_exptl_crystal_density_diffrn    4.883
_[local]_cod_chemical_formula_sum_orig 'Sb2 S2 O'
_cod_database_code               9009342
_amcsd_database_code             AMCSD#0011905
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sb1 0.16800 0.63140 0.03810 0.01381
Sb2 0.66020 0.62980 0.01400 0.01469
Sb3 0.12530 0.85430 0.63230 0.01862
Sb4 0.65150 0.91460 0.67890 0.02026
S1 0.80980 0.70270 0.49620 0.01735
S2 0.29110 0.69250 0.51690 0.01773
S3 0.04670 0.90950 0.22550 0.01596
S4 0.52110 0.91060 0.22900 0.01710
O1 0.89960 0.56690 0.03520 0.01659
O2 0.41350 0.57240 0.07700 0.01912