The crystal structure described by ThNi5 crystallizes in the hexagonal P6/mmm space group. Th(1) is bonded in a 18-coordinate geometry to six equivalent Ni(1) and twelve equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Th(1) and six equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded to four equivalent Th(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of corner, edge, and face-sharing NiTh4Ni8 cuboctahedra. is represented by the CIF file [CIF]
data_ThNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.900
_cell_length_b   4.900
_cell_length_c   3.952
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   82.195
_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  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.333  0.667  0.000  1.0
  Ni  Ni2  1  0.667  0.333  0.000  1.0
  Ni  Ni3  1  0.500  0.000  0.500  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
[/CIF]
.
The crystal structure described by ThNi5 crystallizes in the hexagonal P6/mmm space group. Th(1) is bonded in a 18-coordinate geometry to six equivalent Ni(1) and twelve equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Th(1) and six equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded to four equivalent Th(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of corner, edge, and face-sharing NiTh4Ni8 cuboctahedra. is represented by the CIF file [CIF]
data_ThNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.900
_cell_length_b   4.900
_cell_length_c   3.952
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   82.195
_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  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.333  0.667  0.000  1.0
  Ni  Ni2  1  0.667  0.333  0.000  1.0
  Ni  Ni3  1  0.500  0.000  0.500  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
[/CIF]
.