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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/89/1528984.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_1528984
loop_
_publ_author_name
'Whittle, K.R.'
'Ashbrook, S.E.'
'Lumpkin, G.R.'
_publ_section_title
;
 Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'O2 Zr'
_chemical_name_systematic        'Zr O2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.249
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1462
_cell_length_b                   5.2082
_cell_length_c                   5.3155
_cell_volume                     140.616
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Whittle_JSSCBI_2006_922.cif
_cod_data_source_block           O2Zr1
_cod_original_cell_volume        140.6161
_cod_original_formula_sum        'O2 Zr1'
_cod_database_code               1528984
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
O1 O-2 0.07 0.3317 0.3447 1 0.0
O2 O-2 0.4496 0.7569 0.4792 1 0.0
Zr1 Zr+4 0.2754 0.0395 0.2083 1 0.0
