#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100389.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_2100389
loop_
_publ_author_name
'Yashima, Masatomo'
'Tsunekawa, Shin'
_publ_section_title
;
Crystal structures and the oxygen deficiency of tetragonal and monoclinic
zirconium oxide nanoparticles
;
_journal_issue                 1
_journal_name_full             'Acta Crystallographica, Section B'
_journal_page_first            161
_journal_page_last             164
_journal_volume                61
_journal_year                  2006
_symmetry_space_group_name_H-M 'P 42/n m c'
_cell_angle_alpha              90
_cell_angle_beta               90
_cell_angle_gamma              90
_cell_length_a                 3.58651(8)
_cell_length_b                 3.58651(8)
_cell_length_c                 5.16658(8)
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,z
3 -y+1/2,x+1/2,z+1/2
4 y+1/2,-x+1/2,z+1/2
5 -x+1/2,y+1/2,-z+1/2
6 x+1/2,-y+1/2,-z+1/2
7 y,x,-z
8 -y,-x,-z
9 -x+1/2,-y+1/2,-z+1/2
10 x+1/2,y+1/2,-z+1/2
11 y,-x,-z
12 -y,x,-z
13 x,-y,z
14 -x,y,z
15 -y+1/2,-x+1/2,z+1/2
16 y+1/2,x+1/2,z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
Zr 0 0 0 Biso 1.0 M
O 0 0.50000 0.2041(3) Biso 0.984(4) O