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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/99/9009919.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9009919
loop_
_publ_author_name
'Kisi, E. H.'
'Howard, C. J.'
'Hill, R. J.'
_publ_section_title
;
 Crystal structure of orthorhombic zirconia in partially stabilized zirconia
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              1757
_journal_page_last               1760
_journal_paper_doi               10.1111/j.1151-2916.1989.tb06322.x
_journal_volume                  72
_journal_year                    1989
_chemical_formula_structural     ZrO2
_chemical_formula_sum            'O2 Zr'
_chemical_name_mineral           Baddeleyite
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2b'
_symmetry_space_group_name_H-M   'P b c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.068
_cell_length_b                   5.260
_cell_length_c                   5.077
_cell_formula_units_Z            4
_cell_volume                     135.341
_database_code_amcsd             0014064
_exptl_crystal_density_diffrn    6.047
_cod_original_formula_sum        'Zr O2'
_cod_database_code               9009919
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,z
x,1/2-y,1/2+z
-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Zr 0.26700 0.03000 0.25000 0.00507
O1 0.06800 0.36100 0.10600 0.01013
O2 0.53700 0.22900 0.00000 0.00253
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 4955305
2 AMCSD 0014064
