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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$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/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009342
_chemical_name 'Kermesite'
loop_
_publ_author_name
'Bonazzi P'
'Menchetti S'
'Sabelli C'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 1987
_journal_year 1987
_journal_page_first 557
_journal_page_last 567
_publ_section_title
;
 Structure refinement of kermesite: symmetry, twinning, and comparison with stib
 Locality: Braunsdorf, Czechoslovakia
;
_chemical_formula_sum 'Sb2 S2 O'
_cell_length_a 8.147
_cell_length_b 10.709
_cell_length_c 5.785
_cell_angle_alpha 102.78
_cell_angle_beta 110.63
_cell_angle_gamma 101.00
_cell_volume 440.229
_symmetry_space_group_name_H-M 'P -1'
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_Uiso_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