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#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/54/9015434.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_9015434
loop_
_publ_author_name
'Howard, C. J.'
'Hill, R. J.'
'Reichert, B. E.'
_publ_section_title
;
 Structures of the ZrO2 polymorphs at room temperature
 by high-resolution neutron powder diffraction
 Note: model 2, O displaced along [100]
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              116
_journal_page_last               120
_journal_volume                  44
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg0.125 O1.872 Zr0.875'
_chemical_name_mineral           Tazheranite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.0858
_cell_length_b                   5.0858
_cell_length_c                   5.0858
_cell_volume                     131.546
_database_code_amcsd             0019232
_exptl_crystal_density_diffrn    5.696
_[local]_cod_cif_authors_sg_H-M  'F m 3 m'
_[local]_cod_chemical_formula_sum_orig '(Zr.875 Mg.125) O1.872'
_cod_database_code               9015434
loop_
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Zr 0.00000 0.00000 0.00000 0.87500 0.01950
Mg 0.00000 0.00000 0.00000 0.12500 0.01950
O 0.25000 0.25000 0.29760 0.15600 0.01811