#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005834.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_9005834
_chemical_name 'ZrO2'
loop_
_publ_author_name
'Kudoh Y'
'Takeda H'
'Arashi H'
_journal_name_full "Physics and Chemistry of Minerals"
_journal_volume 13
_journal_year 1986
_journal_page_first 233
_journal_page_last 237
_publ_section_title
;
 In situ determination of crystal structure for high pressure
 phase of ZrO2 using a diamond anvil and single crystal X-ray
 diffraction method
 Sample: P = 39 kbar
;
_chemical_formula_sum 'Zr O2'
_cell_length_a 5.005
_cell_length_b 5.235
_cell_length_c 5.051
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 132.342
_symmetry_space_group_name_H-M 'P b c m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,1/2+y,z'
  'x,1/2-y,-z'
  'x,y,1/2-z'
  '-x,-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
_atom_site_Uiso_or_equiv
Zr   0.26830   0.03340   0.25000   1.00000   0.00595
O1   0.08220   0.37500   0.12920   0.50000   0.00203
O2   0.45640   0.75000   0.50000   1.00000   0.00063