The material structure described by PuRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Pu(1) is bonded to twelve equivalent Ru(1) atoms to form PuRu12 cuboctahedra that share corners with twelve equivalent Pu(1)Ru12 cuboctahedra, faces with six equivalent Pu(1)Ru12 cuboctahedra, and faces with eight equivalent C(1)Ru6 octahedra. Ru(1) is bonded to four equivalent Pu(1) and two equivalent C(1) atoms to form a mixture of distorted face, corner, and edge-sharing RuPu4C2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. C(1) is bonded to six equivalent Ru(1) atoms to form CRu6 octahedra that share corners with six equivalent C(1)Ru6 octahedra and faces with eight equivalent Pu(1)Ru12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_PuRu3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.167
_cell_length_b   4.167
_cell_length_c   4.167
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   72.361
_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
  Pu  Pu0  1  0.000  0.000  0.000  1.0
  Ru  Ru1  1  0.000  0.500  0.500  1.0
  Ru  Ru2  1  0.500  0.500  0.000  1.0
  Ru  Ru3  1  0.500  0.000  0.500  1.0
  C  C4  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by PuRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Pu(1) is bonded to twelve equivalent Ru(1) atoms to form PuRu12 cuboctahedra that share corners with twelve equivalent Pu(1)Ru12 cuboctahedra, faces with six equivalent Pu(1)Ru12 cuboctahedra, and faces with eight equivalent C(1)Ru6 octahedra. Ru(1) is bonded to four equivalent Pu(1) and two equivalent C(1) atoms to form a mixture of distorted face, corner, and edge-sharing RuPu4C2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. C(1) is bonded to six equivalent Ru(1) atoms to form CRu6 octahedra that share corners with six equivalent C(1)Ru6 octahedra and faces with eight equivalent Pu(1)Ru12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_PuRu3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.167
_cell_length_b   4.167
_cell_length_c   4.167
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   72.361
_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
  Pu  Pu0  1  0.000  0.000  0.000  1.0
  Ru  Ru1  1  0.000  0.500  0.500  1.0
  Ru  Ru2  1  0.500  0.500  0.000  1.0
  Ru  Ru3  1  0.500  0.000  0.500  1.0
  C  C4  1  0.500  0.500  0.500  1.0
[/CIF]
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