#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007485.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_9007485
_chemical_name 'Baddeleyite'
loop_
_publ_author_name
'Smith D K'
'Newkirk H W'
_journal_name_full "Acta Crystallographica"
_journal_volume 18
_journal_year 1965
_journal_page_first 983
_journal_page_last 991
_publ_section_title
;
 The crystal structure of baddeleyite (monoclinic ZrO2)
 and its relation to the polymorphism of ZrO2
;
_chemical_formula_sum 'Zr O2'
_cell_length_a 5.145
_cell_length_b 5.2075
_cell_length_c 5.3107
_cell_angle_alpha 90
_cell_angle_beta 99.23
_cell_angle_gamma 90
_cell_volume 140.445
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-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_Uiso_or_equiv
Zr   0.27580   0.04110   0.20820   0.00384
O1   0.07030   0.33590   0.34060   0.00401
O2   0.44230   0.75490   0.47890   0.00290