The structure described by PrHfO14 crystallizes in the cubic Fd-3m space group. Pr(1) is bonded to four equivalent O(1) and twelve equivalent O(2) atoms to form PrO16 tetrahedra that share corners with four equivalent Pr(1)O16 tetrahedra and faces with four equivalent Hf(1)O12 cuboctahedra. Hf(1) is bonded to twelve equivalent O(2) atoms to form HfO12 cuboctahedra that share faces with four equivalent Pr(1)O16 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 6-coordinate geometry to one Pr(1), one Hf(1), and four equivalent O(2) atoms. In the second O site, O(1) is bonded in a linear geometry to two equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_PrHfO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.628
_cell_length_b   7.628
_cell_length_c   7.628
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   313.860
_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
  Pr  Pr0  1  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.750  0.750  0.750  1.0
  Hf  Hf2  1  0.500  0.500  0.500  1.0
  Hf  Hf3  1  0.250  0.250  0.250  1.0
  O  O4  1  0.875  0.875  0.875  1.0
  O  O5  1  0.375  0.875  0.875  1.0
  O  O6  1  0.875  0.375  0.875  1.0
  O  O7  1  0.875  0.875  0.375  1.0
  O  O8  1  0.520  0.520  0.181  1.0
  O  O9  1  0.780  0.181  0.520  1.0
  O  O10  1  0.181  0.780  0.520  1.0
  O  O11  1  0.520  0.181  0.520  1.0
  O  O12  1  0.970  0.230  0.569  1.0
  O  O13  1  0.230  0.230  0.569  1.0
  O  O14  1  0.520  0.520  0.780  1.0
  O  O15  1  0.181  0.520  0.780  1.0
  O  O16  1  0.230  0.569  0.230  1.0
  O  O17  1  0.970  0.569  0.230  1.0
  O  O18  1  0.780  0.520  0.181  1.0
  O  O19  1  0.230  0.970  0.230  1.0
  O  O20  1  0.569  0.970  0.230  1.0
  O  O21  1  0.520  0.780  0.520  1.0
  O  O22  1  0.569  0.230  0.970  1.0
  O  O23  1  0.230  0.230  0.970  1.0
  O  O24  1  0.181  0.520  0.520  1.0
  O  O25  1  0.520  0.181  0.780  1.0
  O  O26  1  0.780  0.520  0.520  1.0
  O  O27  1  0.520  0.780  0.181  1.0
  O  O28  1  0.230  0.569  0.970  1.0
  O  O29  1  0.569  0.230  0.230  1.0
  O  O30  1  0.230  0.970  0.569  1.0
  O  O31  1  0.970  0.230  0.230  1.0
[/CIF]
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The structure described by PrHfO14 crystallizes in the cubic Fd-3m space group. Pr(1) is bonded to four equivalent O(1) and twelve equivalent O(2) atoms to form PrO16 tetrahedra that share corners with four equivalent Pr(1)O16 tetrahedra and faces with four equivalent Hf(1)O12 cuboctahedra. Hf(1) is bonded to twelve equivalent O(2) atoms to form HfO12 cuboctahedra that share faces with four equivalent Pr(1)O16 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 6-coordinate geometry to one Pr(1), one Hf(1), and four equivalent O(2) atoms. In the second O site, O(1) is bonded in a linear geometry to two equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_PrHfO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.628
_cell_length_b   7.628
_cell_length_c   7.628
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   313.860
_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
  Pr  Pr0  1  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.750  0.750  0.750  1.0
  Hf  Hf2  1  0.500  0.500  0.500  1.0
  Hf  Hf3  1  0.250  0.250  0.250  1.0
  O  O4  1  0.875  0.875  0.875  1.0
  O  O5  1  0.375  0.875  0.875  1.0
  O  O6  1  0.875  0.375  0.875  1.0
  O  O7  1  0.875  0.875  0.375  1.0
  O  O8  1  0.520  0.520  0.181  1.0
  O  O9  1  0.780  0.181  0.520  1.0
  O  O10  1  0.181  0.780  0.520  1.0
  O  O11  1  0.520  0.181  0.520  1.0
  O  O12  1  0.970  0.230  0.569  1.0
  O  O13  1  0.230  0.230  0.569  1.0
  O  O14  1  0.520  0.520  0.780  1.0
  O  O15  1  0.181  0.520  0.780  1.0
  O  O16  1  0.230  0.569  0.230  1.0
  O  O17  1  0.970  0.569  0.230  1.0
  O  O18  1  0.780  0.520  0.181  1.0
  O  O19  1  0.230  0.970  0.230  1.0
  O  O20  1  0.569  0.970  0.230  1.0
  O  O21  1  0.520  0.780  0.520  1.0
  O  O22  1  0.569  0.230  0.970  1.0
  O  O23  1  0.230  0.230  0.970  1.0
  O  O24  1  0.181  0.520  0.520  1.0
  O  O25  1  0.520  0.181  0.780  1.0
  O  O26  1  0.780  0.520  0.520  1.0
  O  O27  1  0.520  0.780  0.181  1.0
  O  O28  1  0.230  0.569  0.970  1.0
  O  O29  1  0.569  0.230  0.230  1.0
  O  O30  1  0.230  0.970  0.569  1.0
  O  O31  1  0.970  0.230  0.230  1.0
[/CIF]
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