data_global
_amcsd_formula_title 'HfO2'
loop_
_publ_author_name
'Ruh R'
'Corfield P W R'
_journal_name_full 'Journal of the American Ceramic Society'
_journal_volume 53 
_journal_year 1970
_journal_page_first 126
_journal_page_last 129
_publ_section_title
;
 Crystal structure of monoclinic hafnia and comparison with monoclinic zirconia
;
_database_code_amcsd 0014063
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Hf O2'
_cell_length_a 5.1156
_cell_length_b 5.1722
_cell_length_c 5.2948
_cell_angle_alpha 90
_cell_angle_beta 99.18
_cell_angle_gamma 90
_cell_volume 138.300
_exptl_crystal_density_diffrn     10.109
_symmetry_space_group_name_H-M 'P 1 21/c 1'
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