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#$Date: 2016-02-20 01:53:41 +0100 (Sat 20 de Feb de 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/03/2100389.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_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_coeditor_code           OG5013
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              161
_journal_page_last               164
_journal_paper_doi               10.1107/S0108768105030570
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           137
_symmetry_space_group_name_Hall  'P 4n 2n -1n'
_symmetry_space_group_name_H-M   'P 42/n m c :1'
_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)
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_database_code               2100389
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
