data_global
_amcsd_formula_title 'Zr0.935Y0.065O1.968'
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 0019230
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Zr.935 Y.065) O.984'
_cell_length_a 3.6055
_cell_length_b 3.6055
_cell_length_c 5.1797
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 67.334
_exptl_crystal_density_diffrn     10.537
_symmetry_space_group_name_H-M 'P 42/n m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,1/2+z'
  '1/2+y,1/2+x,-z'
  '1/2+y,-x,-z'
  '1/2-y,x,1/2+z'
  'x,1/2-y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,z'
  'y,x,1/2+z'
  '-y,-x,-z'
  '-y,1/2+x,-z'
  'y,1/2-x,1/2+z'
  '1/2-x,y,z'
  '1/2+x,-y,1/2-z'
  '-x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Zr   0.75000   0.25000   0.75000   0.93500   0.00823
Y   0.75000   0.25000   0.75000   0.06500   0.00823
O   0.25000   0.25000   0.45870   0.98400   0.01241