The material structure described by SrHfO3 crystallizes in the tetragonal I4/mcm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Hf(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 0-23°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Hf(1) atoms. is represented by the CIF file [CIF]
data_SrHfO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.787
_cell_length_b   5.787
_cell_length_c   5.787
_cell_angle_alpha   120.670
_cell_angle_beta   120.670
_cell_angle_gamma   88.843
_symmetry_Int_Tables_number   1
_cell_volume   135.600
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.250  0.750  0.500  1.0
  Sr  Sr1  1  0.750  0.250  0.500  1.0
  Hf  Hf2  1  0.500  0.500  0.000  1.0
  Hf  Hf3  1  0.000  1.000  1.000  1.0
  O  O4  1  0.698  0.198  0.897  1.0
  O  O5  1  0.198  0.302  0.500  1.0
  O  O6  1  0.802  0.698  0.500  1.0
  O  O7  1  0.302  0.802  0.103  1.0
  O  O8  1  0.750  0.750  0.000  1.0
  O  O9  1  0.250  0.250  0.000  1.0
[/CIF]
.
The material structure described by SrHfO3 crystallizes in the tetragonal I4/mcm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Hf(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 0-23°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Hf(1) atoms. is represented by the CIF file [CIF]
data_SrHfO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.787
_cell_length_b   5.787
_cell_length_c   5.787
_cell_angle_alpha   120.670
_cell_angle_beta   120.670
_cell_angle_gamma   88.843
_symmetry_Int_Tables_number   1
_cell_volume   135.600
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.250  0.750  0.500  1.0
  Sr  Sr1  1  0.750  0.250  0.500  1.0
  Hf  Hf2  1  0.500  0.500  0.000  1.0
  Hf  Hf3  1  0.000  1.000  1.000  1.0
  O  O4  1  0.698  0.198  0.897  1.0
  O  O5  1  0.198  0.302  0.500  1.0
  O  O6  1  0.802  0.698  0.500  1.0
  O  O7  1  0.302  0.802  0.103  1.0
  O  O8  1  0.750  0.750  0.000  1.0
  O  O9  1  0.250  0.250  0.000  1.0
[/CIF]
.