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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/9/9000781.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_9000781
_chemical_name 'Klebelsbergite'
loop_
_publ_author_name
'Manchetti S'
'Sabelli C'
_journal_name_full "American Mineralogist"
_journal_volume 65
_journal_year 1980
_journal_page_first 931
_journal_page_last 935
_publ_section_title
;
 The crystal structure of klebelsbergite Sb4O4(OH)2SO4
;
_chemical_formula_sum 'Sb4 S O10 H2'
_cell_length_a 5.766
_cell_length_b 11.274
_cell_length_c 14.887
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 967.743
_symmetry_space_group_name_H-M 'P c a 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,-y,z'
  '1/2-x,y,1/2+z'
  '-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Sb1   0.47890   0.35960   0.25000 ?
Sb2   0.39170   0.08740   0.09140 ?
Sb3   0.15260   0.40780   0.43220 ?
Sb4   0.04830   0.14120   0.26730 ?
S   0.67800   0.25950   0.50830 ?
O1   0.85250   0.25050   0.43120 ?
O2   0.64000   0.38770   0.52850 ?
O3   0.46270   0.20260   0.48490 ?
O4   0.77420   0.20150   0.58990 ?
O5   0.28560   0.46270   0.18230 ?
O6   0.30770   0.20260   0.18210 ?
O7   0.42380   0.49190   0.36570 ?
O8   0.11780   0.00690   0.16420 ?
O9   0.27230   0.05150   0.34130 ?
O10   0.19940   0.30880   0.32130 ?
H1   0.30100   0.51300   0.12900   0.05066
H2   0.33700   0.10100   0.38900   0.05066