The material structure described by U3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to four equivalent U(1), four equivalent U(2), and four equivalent Zn(1) atoms to form distorted UU8Zn4 cuboctahedra that share corners with twelve equivalent U(1)U8Zn4 cuboctahedra, edges with eight equivalent U(1)U8Zn4 cuboctahedra, edges with eight equivalent U(2)U8Zn4 cuboctahedra, edges with eight equivalent Zn(1)U12 cuboctahedra, faces with four equivalent U(2)U8Zn4 cuboctahedra, faces with four equivalent Zn(1)U12 cuboctahedra, and faces with ten equivalent U(1)U8Zn4 cuboctahedra. In the second U site, U(2) is bonded to eight equivalent U(1) and four equivalent Zn(1) atoms to form UU8Zn4 cuboctahedra that share corners with four equivalent U(2)U8Zn4 cuboctahedra, corners with eight equivalent Zn(1)U12 cuboctahedra, edges with eight equivalent U(2)U8Zn4 cuboctahedra, edges with sixteen equivalent U(1)U8Zn4 cuboctahedra, faces with four equivalent U(2)U8Zn4 cuboctahedra, faces with six equivalent Zn(1)U12 cuboctahedra, and faces with eight equivalent U(1)U8Zn4 cuboctahedra. Zn(1) is bonded to four equivalent U(2) and eight equivalent U(1) atoms to form ZnU12 cuboctahedra that share corners with four equivalent Zn(1)U12 cuboctahedra, corners with eight equivalent U(2)U8Zn4 cuboctahedra, edges with eight equivalent Zn(1)U12 cuboctahedra, edges with sixteen equivalent U(1)U8Zn4 cuboctahedra, faces with four equivalent Zn(1)U12 cuboctahedra, faces with six equivalent U(2)U8Zn4 cuboctahedra, and faces with eight equivalent U(1)U8Zn4 cuboctahedra. is represented by the CIF file [CIF]
data_U3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   5.164
_cell_length_c   5.164
_cell_angle_alpha   130.195
_cell_angle_beta   130.195
_cell_angle_gamma   73.096
_symmetry_Int_Tables_number   1
_cell_volume   78.439
_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
  U  U0  1  0.750  0.250  0.500  1.0
  U  U1  1  0.250  0.750  0.500  1.0
  U  U2  1  0.500  0.500  0.000  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by U3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to four equivalent U(1), four equivalent U(2), and four equivalent Zn(1) atoms to form distorted UU8Zn4 cuboctahedra that share corners with twelve equivalent U(1)U8Zn4 cuboctahedra, edges with eight equivalent U(1)U8Zn4 cuboctahedra, edges with eight equivalent U(2)U8Zn4 cuboctahedra, edges with eight equivalent Zn(1)U12 cuboctahedra, faces with four equivalent U(2)U8Zn4 cuboctahedra, faces with four equivalent Zn(1)U12 cuboctahedra, and faces with ten equivalent U(1)U8Zn4 cuboctahedra. In the second U site, U(2) is bonded to eight equivalent U(1) and four equivalent Zn(1) atoms to form UU8Zn4 cuboctahedra that share corners with four equivalent U(2)U8Zn4 cuboctahedra, corners with eight equivalent Zn(1)U12 cuboctahedra, edges with eight equivalent U(2)U8Zn4 cuboctahedra, edges with sixteen equivalent U(1)U8Zn4 cuboctahedra, faces with four equivalent U(2)U8Zn4 cuboctahedra, faces with six equivalent Zn(1)U12 cuboctahedra, and faces with eight equivalent U(1)U8Zn4 cuboctahedra. Zn(1) is bonded to four equivalent U(2) and eight equivalent U(1) atoms to form ZnU12 cuboctahedra that share corners with four equivalent Zn(1)U12 cuboctahedra, corners with eight equivalent U(2)U8Zn4 cuboctahedra, edges with eight equivalent Zn(1)U12 cuboctahedra, edges with sixteen equivalent U(1)U8Zn4 cuboctahedra, faces with four equivalent Zn(1)U12 cuboctahedra, faces with six equivalent U(2)U8Zn4 cuboctahedra, and faces with eight equivalent U(1)U8Zn4 cuboctahedra. is represented by the CIF file [CIF]
data_U3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   5.164
_cell_length_c   5.164
_cell_angle_alpha   130.195
_cell_angle_beta   130.195
_cell_angle_gamma   73.096
_symmetry_Int_Tables_number   1
_cell_volume   78.439
_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
  U  U0  1  0.750  0.250  0.500  1.0
  U  U1  1  0.250  0.750  0.500  1.0
  U  U2  1  0.500  0.500  0.000  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
[/CIF]
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