The structure described by Ho2Hf2O7 crystallizes in the cubic Fd-3m space group. Ho(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. Hf(1) is bonded to six equivalent O(1) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ho(1) and two equivalent Hf(1) atoms to form distorted OHo2Hf2 tetrahedra that share corners with two equivalent O(2)Ho4 tetrahedra, corners with twelve equivalent O(1)Ho2Hf2 tetrahedra,  an edgeedge with one O(2)Ho4 tetrahedra, and edges with four equivalent O(1)Ho2Hf2 tetrahedra. In the second O site, O(2) is bonded to four equivalent Ho(1) atoms to form OHo4 tetrahedra that share corners with four equivalent O(2)Ho4 tetrahedra, corners with twelve equivalent O(1)Ho2Hf2 tetrahedra, and edges with six equivalent O(1)Ho2Hf2 tetrahedra. is represented by the CIF card [CIF]
data_Ho2Hf2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.348
_cell_length_b   7.348
_cell_length_c   7.348
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   280.559
_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
  Ho  Ho0  1  0.125  0.125  0.625  1.0
  Ho  Ho1  1  0.125  0.125  0.125  1.0
  Ho  Ho2  1  0.625  0.125  0.125  1.0
  Ho  Ho3  1  0.125  0.625  0.125  1.0
  Hf  Hf4  1  0.625  0.625  0.625  1.0
  Hf  Hf5  1  0.125  0.625  0.625  1.0
  Hf  Hf6  1  0.625  0.625  0.125  1.0
  Hf  Hf7  1  0.625  0.125  0.625  1.0
  O  O8  1  0.536  0.964  0.536  1.0
  O  O9  1  0.536  0.536  0.964  1.0
  O  O10  1  0.286  0.714  0.286  1.0
  O  O11  1  0.536  0.964  0.964  1.0
  O  O12  1  0.714  0.286  0.714  1.0
  O  O13  1  0.964  0.536  0.536  1.0
  O  O14  1  0.714  0.714  0.286  1.0
  O  O15  1  0.714  0.286  0.286  1.0
  O  O16  1  0.250  0.250  0.250  1.0
  O  O17  1  0.286  0.714  0.714  1.0
  O  O18  1  0.964  0.964  0.536  1.0
  O  O19  1  0.286  0.286  0.714  1.0
  O  O20  1  0.000  0.000  0.000  1.0
  O  O21  1  0.964  0.536  0.964  1.0
[/CIF]
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The structure described by Ho2Hf2O7 crystallizes in the cubic Fd-3m space group. Ho(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. Hf(1) is bonded to six equivalent O(1) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ho(1) and two equivalent Hf(1) atoms to form distorted OHo2Hf2 tetrahedra that share corners with two equivalent O(2)Ho4 tetrahedra, corners with twelve equivalent O(1)Ho2Hf2 tetrahedra,  an edgeedge with one O(2)Ho4 tetrahedra, and edges with four equivalent O(1)Ho2Hf2 tetrahedra. In the second O site, O(2) is bonded to four equivalent Ho(1) atoms to form OHo4 tetrahedra that share corners with four equivalent O(2)Ho4 tetrahedra, corners with twelve equivalent O(1)Ho2Hf2 tetrahedra, and edges with six equivalent O(1)Ho2Hf2 tetrahedra. is represented by the CIF card [CIF]
data_Ho2Hf2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.348
_cell_length_b   7.348
_cell_length_c   7.348
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   280.559
_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
  Ho  Ho0  1  0.125  0.125  0.625  1.0
  Ho  Ho1  1  0.125  0.125  0.125  1.0
  Ho  Ho2  1  0.625  0.125  0.125  1.0
  Ho  Ho3  1  0.125  0.625  0.125  1.0
  Hf  Hf4  1  0.625  0.625  0.625  1.0
  Hf  Hf5  1  0.125  0.625  0.625  1.0
  Hf  Hf6  1  0.625  0.625  0.125  1.0
  Hf  Hf7  1  0.625  0.125  0.625  1.0
  O  O8  1  0.536  0.964  0.536  1.0
  O  O9  1  0.536  0.536  0.964  1.0
  O  O10  1  0.286  0.714  0.286  1.0
  O  O11  1  0.536  0.964  0.964  1.0
  O  O12  1  0.714  0.286  0.714  1.0
  O  O13  1  0.964  0.536  0.536  1.0
  O  O14  1  0.714  0.714  0.286  1.0
  O  O15  1  0.714  0.286  0.286  1.0
  O  O16  1  0.250  0.250  0.250  1.0
  O  O17  1  0.286  0.714  0.714  1.0
  O  O18  1  0.964  0.964  0.536  1.0
  O  O19  1  0.286  0.286  0.714  1.0
  O  O20  1  0.000  0.000  0.000  1.0
  O  O21  1  0.964  0.536  0.964  1.0
[/CIF]
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