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#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009342.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
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'
_[local]_cod_chemical_formula_sum_orig 'Sb2 S2 O'
_chemical_name_mineral           Kermesite
_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
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