The structure described by YbHfO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Hf(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Yb(1) and two equivalent Hf(1) atoms to form distorted corner-sharing OYb2Hf2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Yb(1) and two equivalent Hf(1) atoms. is represented by the CIF card [CIF]
data_YbHfO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.669
_cell_length_b   7.848
_cell_length_c   5.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.494
_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
  Yb  Yb0  1  0.057  0.250  0.984  1.0
  Yb  Yb1  1  0.443  0.750  0.484  1.0
  Yb  Yb2  1  0.557  0.250  0.516  1.0
  Yb  Yb3  1  0.943  0.750  0.016  1.0
  Hf  Hf4  1  0.000  0.000  0.500  1.0
  Hf  Hf5  1  0.000  0.500  0.500  1.0
  Hf  Hf6  1  0.500  0.000  0.000  1.0
  Hf  Hf7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.043  0.750  0.612  1.0
  O  O9  1  0.198  0.559  0.194  1.0
  O  O10  1  0.198  0.941  0.194  1.0
  O  O11  1  0.302  0.059  0.694  1.0
  O  O12  1  0.302  0.441  0.694  1.0
  O  O13  1  0.457  0.250  0.112  1.0
  O  O14  1  0.543  0.750  0.888  1.0
  O  O15  1  0.698  0.559  0.306  1.0
  O  O16  1  0.698  0.941  0.306  1.0
  O  O17  1  0.802  0.059  0.806  1.0
  O  O18  1  0.802  0.441  0.806  1.0
  O  O19  1  0.957  0.250  0.388  1.0
[/CIF]
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The structure described by YbHfO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Hf(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Yb(1) and two equivalent Hf(1) atoms to form distorted corner-sharing OYb2Hf2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Yb(1) and two equivalent Hf(1) atoms. is represented by the CIF card [CIF]
data_YbHfO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.669
_cell_length_b   7.848
_cell_length_c   5.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.494
_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
  Yb  Yb0  1  0.057  0.250  0.984  1.0
  Yb  Yb1  1  0.443  0.750  0.484  1.0
  Yb  Yb2  1  0.557  0.250  0.516  1.0
  Yb  Yb3  1  0.943  0.750  0.016  1.0
  Hf  Hf4  1  0.000  0.000  0.500  1.0
  Hf  Hf5  1  0.000  0.500  0.500  1.0
  Hf  Hf6  1  0.500  0.000  0.000  1.0
  Hf  Hf7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.043  0.750  0.612  1.0
  O  O9  1  0.198  0.559  0.194  1.0
  O  O10  1  0.198  0.941  0.194  1.0
  O  O11  1  0.302  0.059  0.694  1.0
  O  O12  1  0.302  0.441  0.694  1.0
  O  O13  1  0.457  0.250  0.112  1.0
  O  O14  1  0.543  0.750  0.888  1.0
  O  O15  1  0.698  0.559  0.306  1.0
  O  O16  1  0.698  0.941  0.306  1.0
  O  O17  1  0.802  0.059  0.806  1.0
  O  O18  1  0.802  0.441  0.806  1.0
  O  O19  1  0.957  0.250  0.388  1.0
[/CIF]
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