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#$Date: 2015-07-12 18:44:41 +0300 (Sun, 12 Jul 2015) $
#$Revision: 147210 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/61/1526101.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_1526101
loop_
_publ_author_name
'Glerup, M.'
'Poulsen, F.W.'
'Faurskov Nielsen, O.'
_publ_section_title
;
 The structural transformation from the pyrochlore structure, A2 B2 O7, to
 the fluorite structure, A O2, studied by Raman spectroscopy and defect
 chemistry modelling
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              25
_journal_page_last               32
_journal_volume                  160
_journal_year                    2001
_chemical_formula_sum            'O6.76 Ti1.605 Y2 Zr0.395'
_chemical_name_systematic        'Y2 ((Ti1.605 Zr0.395) O6.76)'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.1385
_cell_length_b                   10.1385
_cell_length_c                   10.1385
_cell_volume                     1042.128
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Glerup_JSSCBI_2001_1623.cif
_cod_data_source_block           O6.76Ti1.605Y2Zr0.395
_cod_database_code               1526101
loop_
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z,x,y
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loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Zr1 Zr+3 0.5 0.5 0.5 0.1975 0.0
Ti1 Ti+3 0.5 0.5 0.5 0.8025 0.0
O2 O-2 0.125 0.125 0.125 0.978 0.0
O1 O-2 0.4189 0.125 0.125 0.956 0.0
O3 O-2 0.375 0.375 0.375 0.049 0.0
Y1 Y+3 0 0 0 1 0.0
