The structure described by Pu3Ru crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to four equivalent Pu(1), four equivalent Pu(2), and four equivalent Ru(1) atoms to form distorted PuPu8Ru4 cuboctahedra that share corners with twelve equivalent Pu(1)Pu8Ru4 cuboctahedra, edges with eight equivalent Pu(1)Pu8Ru4 cuboctahedra, edges with eight equivalent Ru(1)Pu12 cuboctahedra, faces with four equivalent Ru(1)Pu12 cuboctahedra, and faces with ten equivalent Pu(1)Pu8Ru4 cuboctahedra. In the second Pu site, Pu(2) is bonded in a square co-planar geometry to eight equivalent Pu(1) and four equivalent Ru(1) atoms. Ru(1) is bonded to four equivalent Pu(2) and eight equivalent Pu(1) atoms to form distorted RuPu12 cuboctahedra that share corners with four equivalent Ru(1)Pu12 cuboctahedra, edges with eight equivalent Ru(1)Pu12 cuboctahedra, edges with sixteen equivalent Pu(1)Pu8Ru4 cuboctahedra, faces with four equivalent Ru(1)Pu12 cuboctahedra, and faces with eight equivalent Pu(1)Pu8Ru4 cuboctahedra. is represented by the CIF card [CIF]
data_Pu3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.841
_cell_length_b   5.841
_cell_length_c   5.841
_cell_angle_alpha   139.683
_cell_angle_beta   139.683
_cell_angle_gamma   58.335
_symmetry_Int_Tables_number   1
_cell_volume   82.656
_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  0.750  0.250  0.500  1.0
  Pu  Pu1  1  0.250  0.750  0.500  1.0
  Pu  Pu2  1  0.500  0.500  0.000  1.0
  Ru  Ru3  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Pu3Ru crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded to four equivalent Pu(1), four equivalent Pu(2), and four equivalent Ru(1) atoms to form distorted PuPu8Ru4 cuboctahedra that share corners with twelve equivalent Pu(1)Pu8Ru4 cuboctahedra, edges with eight equivalent Pu(1)Pu8Ru4 cuboctahedra, edges with eight equivalent Ru(1)Pu12 cuboctahedra, faces with four equivalent Ru(1)Pu12 cuboctahedra, and faces with ten equivalent Pu(1)Pu8Ru4 cuboctahedra. In the second Pu site, Pu(2) is bonded in a square co-planar geometry to eight equivalent Pu(1) and four equivalent Ru(1) atoms. Ru(1) is bonded to four equivalent Pu(2) and eight equivalent Pu(1) atoms to form distorted RuPu12 cuboctahedra that share corners with four equivalent Ru(1)Pu12 cuboctahedra, edges with eight equivalent Ru(1)Pu12 cuboctahedra, edges with sixteen equivalent Pu(1)Pu8Ru4 cuboctahedra, faces with four equivalent Ru(1)Pu12 cuboctahedra, and faces with eight equivalent Pu(1)Pu8Ru4 cuboctahedra. is represented by the CIF card [CIF]
data_Pu3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.841
_cell_length_b   5.841
_cell_length_c   5.841
_cell_angle_alpha   139.683
_cell_angle_beta   139.683
_cell_angle_gamma   58.335
_symmetry_Int_Tables_number   1
_cell_volume   82.656
_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  0.750  0.250  0.500  1.0
  Pu  Pu1  1  0.250  0.750  0.500  1.0
  Pu  Pu2  1  0.500  0.500  0.000  1.0
  Ru  Ru3  1  0.000  0.000  0.000  1.0
[/CIF]
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