The compound described by SrHfO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(3) atoms. Hf(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 15-24°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), and two equivalent Hf(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(2) and two equivalent Hf(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrHfO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.767
_cell_length_b   5.767
_cell_length_c   8.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.626
_symmetry_Int_Tables_number   1
_cell_volume   271.370
_cell_formula_units_Z   4
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  0.991  0.009  0.750  1.0
  Sr  Sr1  1  0.009  0.991  0.250  1.0
  Sr  Sr2  1  0.493  0.507  0.750  1.0
  Sr  Sr3  1  0.507  0.493  0.250  1.0
  Hf  Hf4  1  0.500  0.000  0.000  1.0
  Hf  Hf5  1  0.500  0.000  0.500  1.0
  Hf  Hf6  1  0.000  0.500  0.000  1.0
  Hf  Hf7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.961  0.454  0.750  1.0
  O  O9  1  0.039  0.546  0.250  1.0
  O  O10  1  0.454  0.961  0.250  1.0
  O  O11  1  0.546  0.039  0.750  1.0
  O  O12  1  0.219  0.781  0.542  1.0
  O  O13  1  0.781  0.219  0.042  1.0
  O  O14  1  0.781  0.219  0.458  1.0
  O  O15  1  0.219  0.781  0.958  1.0
  O  O16  1  0.283  0.283  0.000  1.0
  O  O17  1  0.717  0.717  0.500  1.0
  O  O18  1  0.717  0.717  0.000  1.0
  O  O19  1  0.283  0.283  0.500  1.0
[/CIF]
.
The compound described by SrHfO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(3) atoms. Hf(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 15-24°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), and two equivalent Hf(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(2) and two equivalent Hf(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrHfO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.767
_cell_length_b   5.767
_cell_length_c   8.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.626
_symmetry_Int_Tables_number   1
_cell_volume   271.370
_cell_formula_units_Z   4
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  0.991  0.009  0.750  1.0
  Sr  Sr1  1  0.009  0.991  0.250  1.0
  Sr  Sr2  1  0.493  0.507  0.750  1.0
  Sr  Sr3  1  0.507  0.493  0.250  1.0
  Hf  Hf4  1  0.500  0.000  0.000  1.0
  Hf  Hf5  1  0.500  0.000  0.500  1.0
  Hf  Hf6  1  0.000  0.500  0.000  1.0
  Hf  Hf7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.961  0.454  0.750  1.0
  O  O9  1  0.039  0.546  0.250  1.0
  O  O10  1  0.454  0.961  0.250  1.0
  O  O11  1  0.546  0.039  0.750  1.0
  O  O12  1  0.219  0.781  0.542  1.0
  O  O13  1  0.781  0.219  0.042  1.0
  O  O14  1  0.781  0.219  0.458  1.0
  O  O15  1  0.219  0.781  0.958  1.0
  O  O16  1  0.283  0.283  0.000  1.0
  O  O17  1  0.717  0.717  0.500  1.0
  O  O18  1  0.717  0.717  0.000  1.0
  O  O19  1  0.283  0.283  0.500  1.0
[/CIF]
.