The crystal structure described by Th3Ni is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to four equivalent Th(1), four equivalent Th(2), and four equivalent Ni(1) atoms to form distorted ThTh8Ni4 cuboctahedra that share corners with twelve equivalent Th(1)Th8Ni4 cuboctahedra, edges with eight equivalent Th(1)Th8Ni4 cuboctahedra, edges with eight equivalent Ni(1)Th12 cuboctahedra, faces with four equivalent Ni(1)Th12 cuboctahedra, and faces with ten equivalent Th(1)Th8Ni4 cuboctahedra. In the second Th site, Th(2) is bonded in a distorted square co-planar geometry to eight equivalent Th(1) and four equivalent Ni(1) atoms. Ni(1) is bonded to four equivalent Th(2) and eight equivalent Th(1) atoms to form NiTh12 cuboctahedra that share corners with four equivalent Ni(1)Th12 cuboctahedra, edges with eight equivalent Ni(1)Th12 cuboctahedra, edges with sixteen equivalent Th(1)Th8Ni4 cuboctahedra, faces with four equivalent Ni(1)Th12 cuboctahedra, and faces with eight equivalent Th(1)Th8Ni4 cuboctahedra. is represented by the CIF card [CIF]
data_Th3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.943
_cell_length_b   5.943
_cell_length_c   5.943
_cell_angle_alpha   134.083
_cell_angle_beta   134.083
_cell_angle_gamma   66.958
_symmetry_Int_Tables_number   1
_cell_volume   106.554
_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
  Th  Th0  1  0.750  0.250  0.500  1.0
  Th  Th1  1  0.250  0.750  0.500  1.0
  Th  Th2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Th3Ni is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to four equivalent Th(1), four equivalent Th(2), and four equivalent Ni(1) atoms to form distorted ThTh8Ni4 cuboctahedra that share corners with twelve equivalent Th(1)Th8Ni4 cuboctahedra, edges with eight equivalent Th(1)Th8Ni4 cuboctahedra, edges with eight equivalent Ni(1)Th12 cuboctahedra, faces with four equivalent Ni(1)Th12 cuboctahedra, and faces with ten equivalent Th(1)Th8Ni4 cuboctahedra. In the second Th site, Th(2) is bonded in a distorted square co-planar geometry to eight equivalent Th(1) and four equivalent Ni(1) atoms. Ni(1) is bonded to four equivalent Th(2) and eight equivalent Th(1) atoms to form NiTh12 cuboctahedra that share corners with four equivalent Ni(1)Th12 cuboctahedra, edges with eight equivalent Ni(1)Th12 cuboctahedra, edges with sixteen equivalent Th(1)Th8Ni4 cuboctahedra, faces with four equivalent Ni(1)Th12 cuboctahedra, and faces with eight equivalent Th(1)Th8Ni4 cuboctahedra. is represented by the CIF card [CIF]
data_Th3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.943
_cell_length_b   5.943
_cell_length_c   5.943
_cell_angle_alpha   134.083
_cell_angle_beta   134.083
_cell_angle_gamma   66.958
_symmetry_Int_Tables_number   1
_cell_volume   106.554
_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
  Th  Th0  1  0.750  0.250  0.500  1.0
  Th  Th1  1  0.250  0.750  0.500  1.0
  Th  Th2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
[/CIF]
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