data_global
_chemical_name_mineral 'Baddeleyite'
loop_
_publ_author_name
'Howard C J'
'Hill R J'
'Reichert B E'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 44 
_journal_year 1988
_journal_page_first 116
_journal_page_last 120
_publ_section_title
;
 Structures of the ZrO2 polymorphs at room temperature
 by high-resolution neutron powder diffraction
;
_database_code_amcsd 0019229
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Zr O2'
_cell_length_a 5.1505
_cell_length_b 5.2116
_cell_length_c 5.3173
_cell_angle_alpha 90
_cell_angle_beta 99.230
_cell_angle_gamma 90
_cell_volume 140.881
_exptl_crystal_density_diffrn      5.810
_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   0.20830   0.00418
O1   0.07000   0.33170   0.34470   0.00697
O2   0.44960   0.75690   0.47920   0.00583