data_global
_chemical_name_mineral 'Baddeleyite'
loop_
_publ_author_name
'Kudoh Y'
'Takeda H'
'Arashi H'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 13 
_journal_year 1986
_journal_page_first 233
_journal_page_last 237
_publ_section_title
;
 In situ determination of crystal structure for high pressure
 phase of ZrO2 using a diamond anvil and single crystal X-ray
 diffraction method
 Sample: P = 15 kbar
;
_database_code_amcsd 0007415
_chemical_formula_sum 'Zr O2'
_cell_length_a 5.120
_cell_length_b 5.216
_cell_length_c 5.281
_cell_angle_alpha 90
_cell_angle_beta 99.01
_cell_angle_gamma 90
_cell_volume 139.294
_exptl_crystal_density_diffrn      5.876
_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
Zr   0.27540   0.03950   0.20860   0.01482
O1   0.07100   0.33960   0.33800   0.00988
O2   0.45510   0.76070   0.48550   0.01292