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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005833.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_9005833
loop_
_publ_author_name
'Kudoh Y'
'Takeda H'
'Arashi H'
_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 = 15 kbar
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              233
_journal_page_last               237
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum            'O2 Zr'
_chemical_name_mineral           ZrO2
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.01
_cell_angle_gamma                90
_cell_length_a                   5.120
_cell_length_b                   5.216
_cell_length_c                   5.281
_cell_volume                     139.294
_diffrn_ambient_pressure         1.5e+06
_[local]_cod_chemical_formula_sum_orig 'Zr O2'
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_U_iso_or_equiv
Zr 0.27540 0.03950 0.20860 0.01482
O1 0.07100 0.33960 0.33800 0.00988
O2 0.45510 0.76070 0.48550 0.01292
_cod_database_code 9005833