The compound described by ThCo2Ni3 crystallizes in the orthorhombic Cmmm space group. Th(1) is bonded in a 18-coordinate geometry to eight equivalent Co(1), four equivalent Ni(1), and six equivalent Ni(2) atoms. Co(1) is bonded to four equivalent Th(1), two equivalent Co(1), two equivalent Ni(1), and four equivalent Ni(2) atoms to form CoTh4Co2Ni6 cuboctahedra that share corners with four equivalent Ni(1)Th4Co4Ni4 cuboctahedra, corners with twelve equivalent Co(1)Th4Co2Ni6 cuboctahedra, edges with four equivalent Ni(1)Th4Co4Ni4 cuboctahedra, edges with six equivalent Co(1)Th4Co2Ni6 cuboctahedra, faces with four equivalent Ni(1)Th4Co4Ni4 cuboctahedra, and faces with six equivalent Co(1)Th4Co2Ni6 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Th(1), four equivalent Co(1), and four equivalent Ni(2) atoms to form NiTh4Co4Ni4 cuboctahedra that share corners with eight equivalent Co(1)Th4Co2Ni6 cuboctahedra, corners with eight equivalent Ni(1)Th4Co4Ni4 cuboctahedra, edges with two equivalent Ni(1)Th4Co4Ni4 cuboctahedra, edges with eight equivalent Co(1)Th4Co2Ni6 cuboctahedra, faces with two equivalent Ni(1)Th4Co4Ni4 cuboctahedra, and faces with eight equivalent Co(1)Th4Co2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Th(1), four equivalent Co(1), and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_ThCo2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.989
_cell_length_b   4.989
_cell_length_c   4.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   122.106
_symmetry_Int_Tables_number   1
_cell_volume   84.794
_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  0.500  0.500  0.000  1.0
  Co  Co1  1  0.000  0.500  0.500  1.0
  Co  Co2  1  0.500  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.500  1.0
  Ni  Ni4  1  0.168  0.832  0.000  1.0
  Ni  Ni5  1  0.832  0.168  0.000  1.0
[/CIF]
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The compound described by ThCo2Ni3 crystallizes in the orthorhombic Cmmm space group. Th(1) is bonded in a 18-coordinate geometry to eight equivalent Co(1), four equivalent Ni(1), and six equivalent Ni(2) atoms. Co(1) is bonded to four equivalent Th(1), two equivalent Co(1), two equivalent Ni(1), and four equivalent Ni(2) atoms to form CoTh4Co2Ni6 cuboctahedra that share corners with four equivalent Ni(1)Th4Co4Ni4 cuboctahedra, corners with twelve equivalent Co(1)Th4Co2Ni6 cuboctahedra, edges with four equivalent Ni(1)Th4Co4Ni4 cuboctahedra, edges with six equivalent Co(1)Th4Co2Ni6 cuboctahedra, faces with four equivalent Ni(1)Th4Co4Ni4 cuboctahedra, and faces with six equivalent Co(1)Th4Co2Ni6 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Th(1), four equivalent Co(1), and four equivalent Ni(2) atoms to form NiTh4Co4Ni4 cuboctahedra that share corners with eight equivalent Co(1)Th4Co2Ni6 cuboctahedra, corners with eight equivalent Ni(1)Th4Co4Ni4 cuboctahedra, edges with two equivalent Ni(1)Th4Co4Ni4 cuboctahedra, edges with eight equivalent Co(1)Th4Co2Ni6 cuboctahedra, faces with two equivalent Ni(1)Th4Co4Ni4 cuboctahedra, and faces with eight equivalent Co(1)Th4Co2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Th(1), four equivalent Co(1), and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_ThCo2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.989
_cell_length_b   4.989
_cell_length_c   4.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   122.106
_symmetry_Int_Tables_number   1
_cell_volume   84.794
_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  0.500  0.500  0.000  1.0
  Co  Co1  1  0.000  0.500  0.500  1.0
  Co  Co2  1  0.500  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.500  1.0
  Ni  Ni4  1  0.168  0.832  0.000  1.0
  Ni  Ni5  1  0.832  0.168  0.000  1.0
[/CIF]
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