#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9008307.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_9008307
_chemical_name 'Srilankite'
loop_
_publ_author_name
'Willgallis A'
'Hartl H'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 164
_journal_year 1983
_journal_page_first 59
_journal_page_last 66
_publ_section_title
;
 (Zr0.33Ti0.67)O2 - ein naturliches zirkonium-titanoxid mit alpha-PbO2-struktur
 Locality: Rakwana, Sri Lanka
;
_chemical_formula_sum '(Zr.33 Ti.67) O2'
_cell_length_a 4.706
_cell_length_b 5.553
_cell_length_c 5.024
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 131.289
_symmetry_space_group_name_H-M 'P b c n'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-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
_atom_site_occupancy
Zr   0.00000   0.18370   0.25000   0.33000
Ti   0.00000   0.18370   0.25000   0.67000
O   0.27290   0.38900   0.42250   1.00000