#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009748.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_9009748
_chemical_name 'Valentinite'
loop_
_publ_author_name
'Whitten A E'
'Dittrich B'
'Spackman M A'
'Turner P'
'Brown T C'
_journal_name_full "Dalton Transactions"
_journal_volume 2004
_journal_year 2004
_journal_page_first 23
_journal_page_last 29
_publ_section_title
;
 Charge density analysis of two polymorphs of antimony(III) oxide
;
_chemical_formula_sum 'Sb2 O3'
_cell_length_a 4.8996
_cell_length_b 12.4490
_cell_length_c 5.4103
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 330.002
_symmetry_space_group_name_H-M 'P c c n'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,y,1/2+z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-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
Sb   0.04064   0.12753   0.17784   0.00479
O1   0.25000   0.25000   0.02090   0.00781
O2   0.15086   0.05868  -0.14535   0.00629