The material structure described by TbHfO4 crystallizes in the monoclinic C2/c space group. Tb(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Hf(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Tb(1) and one Hf(1) atom. In the second O site, O(2) is bonded to two equivalent Tb(1) and two equivalent Hf(1) atoms to form a mixture of distorted corner and edge-sharing OTb2Hf2 tetrahedra. is represented by the CIF card [CIF]
data_TbHfO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.463
_cell_length_b   6.463
_cell_length_c   5.361
_cell_angle_alpha   66.532
_cell_angle_beta   66.532
_cell_angle_gamma   109.176
_symmetry_Int_Tables_number   1
_cell_volume   153.654
_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
  Tb  Tb0  1  0.374  0.626  0.750  1.0
  Tb  Tb1  1  0.626  0.374  0.250  1.0
  Hf  Hf2  1  0.115  0.885  0.250  1.0
  Hf  Hf3  1  0.885  0.115  0.750  1.0
  O  O4  1  0.577  0.027  0.707  1.0
  O  O5  1  0.784  0.737  0.709  1.0
  O  O6  1  0.263  0.216  0.791  1.0
  O  O7  1  0.027  0.577  0.207  1.0
  O  O8  1  0.973  0.423  0.793  1.0
  O  O9  1  0.737  0.784  0.209  1.0
  O  O10  1  0.216  0.263  0.291  1.0
  O  O11  1  0.423  0.973  0.293  1.0
[/CIF]
.
The material structure described by TbHfO4 crystallizes in the monoclinic C2/c space group. Tb(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Hf(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Tb(1) and one Hf(1) atom. In the second O site, O(2) is bonded to two equivalent Tb(1) and two equivalent Hf(1) atoms to form a mixture of distorted corner and edge-sharing OTb2Hf2 tetrahedra. is represented by the CIF card [CIF]
data_TbHfO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.463
_cell_length_b   6.463
_cell_length_c   5.361
_cell_angle_alpha   66.532
_cell_angle_beta   66.532
_cell_angle_gamma   109.176
_symmetry_Int_Tables_number   1
_cell_volume   153.654
_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
  Tb  Tb0  1  0.374  0.626  0.750  1.0
  Tb  Tb1  1  0.626  0.374  0.250  1.0
  Hf  Hf2  1  0.115  0.885  0.250  1.0
  Hf  Hf3  1  0.885  0.115  0.750  1.0
  O  O4  1  0.577  0.027  0.707  1.0
  O  O5  1  0.784  0.737  0.709  1.0
  O  O6  1  0.263  0.216  0.791  1.0
  O  O7  1  0.027  0.577  0.207  1.0
  O  O8  1  0.973  0.423  0.793  1.0
  O  O9  1  0.737  0.784  0.209  1.0
  O  O10  1  0.216  0.263  0.291  1.0
  O  O11  1  0.423  0.973  0.293  1.0
[/CIF]
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