The compound described by Pu3Zr is alpha Samarium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Pu(1) is bonded to eight equivalent Pu(1) and four equivalent Zr(1) atoms to form PuPu8Zr4 cuboctahedra that share corners with four equivalent Zr(1)Pu12 cuboctahedra, corners with fourteen equivalent Pu(1)Pu8Zr4 cuboctahedra, edges with six equivalent Zr(1)Pu12 cuboctahedra, edges with twelve equivalent Pu(1)Pu8Zr4 cuboctahedra, faces with four equivalent Zr(1)Pu12 cuboctahedra, and faces with sixteen equivalent Pu(1)Pu8Zr4 cuboctahedra. Zr(1) is bonded to twelve equivalent Pu(1) atoms to form ZrPu12 cuboctahedra that share corners with six equivalent Zr(1)Pu12 cuboctahedra, corners with twelve equivalent Pu(1)Pu8Zr4 cuboctahedra, edges with eighteen equivalent Pu(1)Pu8Zr4 cuboctahedra, faces with eight equivalent Zr(1)Pu12 cuboctahedra, and faces with twelve equivalent Pu(1)Pu8Zr4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pu3Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.533
_cell_length_b   6.533
_cell_length_c   5.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   199.361
_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
  Pu  Pu0  1  0.169  0.338  0.250  1.0
  Pu  Pu1  1  0.662  0.831  0.250  1.0
  Pu  Pu2  1  0.169  0.831  0.250  1.0
  Pu  Pu3  1  0.831  0.662  0.750  1.0
  Pu  Pu4  1  0.338  0.169  0.750  1.0
  Pu  Pu5  1  0.831  0.169  0.750  1.0
  Zr  Zr6  1  0.333  0.667  0.750  1.0
  Zr  Zr7  1  0.667  0.333  0.250  1.0
[/CIF]
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The compound described by Pu3Zr is alpha Samarium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Pu(1) is bonded to eight equivalent Pu(1) and four equivalent Zr(1) atoms to form PuPu8Zr4 cuboctahedra that share corners with four equivalent Zr(1)Pu12 cuboctahedra, corners with fourteen equivalent Pu(1)Pu8Zr4 cuboctahedra, edges with six equivalent Zr(1)Pu12 cuboctahedra, edges with twelve equivalent Pu(1)Pu8Zr4 cuboctahedra, faces with four equivalent Zr(1)Pu12 cuboctahedra, and faces with sixteen equivalent Pu(1)Pu8Zr4 cuboctahedra. Zr(1) is bonded to twelve equivalent Pu(1) atoms to form ZrPu12 cuboctahedra that share corners with six equivalent Zr(1)Pu12 cuboctahedra, corners with twelve equivalent Pu(1)Pu8Zr4 cuboctahedra, edges with eighteen equivalent Pu(1)Pu8Zr4 cuboctahedra, faces with eight equivalent Zr(1)Pu12 cuboctahedra, and faces with twelve equivalent Pu(1)Pu8Zr4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pu3Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.533
_cell_length_b   6.533
_cell_length_c   5.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   199.361
_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
  Pu  Pu0  1  0.169  0.338  0.250  1.0
  Pu  Pu1  1  0.662  0.831  0.250  1.0
  Pu  Pu2  1  0.169  0.831  0.250  1.0
  Pu  Pu3  1  0.831  0.662  0.750  1.0
  Pu  Pu4  1  0.338  0.169  0.750  1.0
  Pu  Pu5  1  0.831  0.169  0.750  1.0
  Zr  Zr6  1  0.333  0.667  0.750  1.0
  Zr  Zr7  1  0.667  0.333  0.250  1.0
[/CIF]
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