The crystal structure described by PrCu3(RuO3)4 crystallizes in the cubic Im-3 space group. Pr(1) is bonded to twelve equivalent O(1) atoms to form PrO12 cuboctahedra that share faces with eight equivalent Ru(1)O6 octahedra. Ru(1) is bonded to six equivalent O(1) atoms to form RuO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra and faces with two equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to one Pr(1), two equivalent Ru(1), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OPrCuRu2 tetrahedra. is represented by the CIF card [CIF]
data_PrCu3(RuO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.541
_cell_length_b   6.541
_cell_length_c   6.541
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   215.385
_cell_formula_units_Z   1
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
  Cu  Cu1  1  0.500  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Ru  Ru4  1  0.000  0.000  0.500  1.0
  Ru  Ru5  1  0.500  0.000  0.000  1.0
  Ru  Ru6  1  0.000  0.500  0.000  1.0
  Ru  Ru7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.829  0.695  0.524  1.0
  O  O9  1  0.829  0.305  0.134  1.0
  O  O10  1  0.171  0.695  0.866  1.0
  O  O11  1  0.171  0.305  0.476  1.0
  O  O12  1  0.695  0.524  0.829  1.0
  O  O13  1  0.305  0.134  0.829  1.0
  O  O14  1  0.695  0.866  0.171  1.0
  O  O15  1  0.305  0.476  0.171  1.0
  O  O16  1  0.524  0.829  0.695  1.0
  O  O17  1  0.134  0.829  0.305  1.0
  O  O18  1  0.866  0.171  0.695  1.0
  O  O19  1  0.476  0.171  0.305  1.0
[/CIF]
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The crystal structure described by PrCu3(RuO3)4 crystallizes in the cubic Im-3 space group. Pr(1) is bonded to twelve equivalent O(1) atoms to form PrO12 cuboctahedra that share faces with eight equivalent Ru(1)O6 octahedra. Ru(1) is bonded to six equivalent O(1) atoms to form RuO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra and faces with two equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to one Pr(1), two equivalent Ru(1), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OPrCuRu2 tetrahedra. is represented by the CIF card [CIF]
data_PrCu3(RuO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.541
_cell_length_b   6.541
_cell_length_c   6.541
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   215.385
_cell_formula_units_Z   1
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
  Cu  Cu1  1  0.500  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Ru  Ru4  1  0.000  0.000  0.500  1.0
  Ru  Ru5  1  0.500  0.000  0.000  1.0
  Ru  Ru6  1  0.000  0.500  0.000  1.0
  Ru  Ru7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.829  0.695  0.524  1.0
  O  O9  1  0.829  0.305  0.134  1.0
  O  O10  1  0.171  0.695  0.866  1.0
  O  O11  1  0.171  0.305  0.476  1.0
  O  O12  1  0.695  0.524  0.829  1.0
  O  O13  1  0.305  0.134  0.829  1.0
  O  O14  1  0.695  0.866  0.171  1.0
  O  O15  1  0.305  0.476  0.171  1.0
  O  O16  1  0.524  0.829  0.695  1.0
  O  O17  1  0.134  0.829  0.305  1.0
  O  O18  1  0.866  0.171  0.695  1.0
  O  O19  1  0.476  0.171  0.305  1.0
[/CIF]
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