#------------------------------------------------------------------------------
#$Date: 2015-07-14 02:14:12 +0200 (mar 14 de jul de 2015) $
#$Revision: 151956 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/66/2106614.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_2106614
loop_
_publ_author_name
'Yashima, M.'
'Tsunekawa, S.'
_publ_section_title
;
 Structures and the oxygen deficiency of tetragonal and monoclinic
 zirconium oxide nanoparticles
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              161
_journal_page_last               164
_journal_volume                  62
_journal_year                    2006
_chemical_formula_sum            'Hf0.006 O2 Zr0.994'
_chemical_name_systematic        'Zr0.994 Hf0.006 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                 99.34
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1313
_cell_length_b                   5.1857
_cell_length_c                   5.3248
_cell_volume                     139.811
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Yashima_ASBSDK_2006_687.cif
_cod_data_source_block           Hf0.006O2Zr0.994
_cod_original_cell_volume        139.8112
_cod_database_code               2106614
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
Hf1 Hf+4 0.2274 0.0369 0.2825 0.006 0.0
O2 O-2 0.532 0.826 0.337 1 0.0
Zr1 Zr+4 0.2274 0.0369 0.2825 0.994 0.0
O1 O-2 -0.024 0.224 0.497 1 0.0
