#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007531.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_9007531
_chemical_name 'Rutile'
loop_
_publ_author_name
'Baur W H'
'Khan A A'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 27
_journal_year 1971
_journal_page_first 2133
_journal_page_last 2139
_publ_section_title
;
 Rutile-type compounds. VI.
 SiO2, GeO2 and a comparison with other rutile-type structures
;
_chemical_formula_sum 'Ti O2'
_cell_length_a 4.5941
_cell_length_b 4.5941
_cell_length_c 2.9589
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 62.450
_symmetry_space_group_name_H-M 'P 42/m n m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,-x,z'
  'y,x,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'y,x,z'
  '-y,-x,-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ti   0.00000   0.00000   0.00000
O   0.30570   0.30570   0.00000