#------------------------------------------------------------------------------
#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/34/9013470.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9013470
loop_
_publ_author_name
'Ruh, R.'
'Corfield, P. W. R.'
_publ_section_title
;Crystal structure of monoclinic hafnia and comparison with monoclinic
 zirconia Locality: synthetic
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              126
_journal_page_last               129
_journal_paper_doi               10.1111/j.1151-2916.1970.tb12052.x
_journal_volume                  53
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_structural     HfO2
_chemical_formula_sum            'Hf 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                 99.18
_cell_angle_gamma                90
_cell_length_a                   5.1156
_cell_length_b                   5.1722
_cell_length_c                   5.2948
_cell_volume                     138.300
_database_code_amcsd             0014063
_exptl_crystal_density_diffrn    10.109
_cod_database_code               9013470
_amcsd_formula_title             HfO2
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Hf 0.27590 0.04120 0.20780 0.00570
O1 0.07300 0.34600 0.33200 0.00570
O2 0.44600 0.74800 0.48800 0.00570
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 140196