The material described by Th2Ni7 crystallizes in the trigonal R-3m space group. There are five inequivalent Th sites. In the first Th site, Th(1) is bonded in a 6-coordinate geometry to three equivalent Ni(3), three equivalent Ni(4), six equivalent Ni(1), and six equivalent Ni(2) atoms. In the second Th site, Th(1) is bonded in a 6-coordinate geometry to three equivalent Ni(3); three equivalent Ni(4); six equivalent Ni(1); and six Ni(2,2,2) atoms. In the third Th site, Th(2) is bonded in a 12-coordinate geometry to three equivalent Ni(5) and nine equivalent Ni(1) atoms. In the fourth Th site, Th(1) is bonded in a 6-coordinate geometry to three equivalent Ni(3); three equivalent Ni(4); six equivalent Ni(1); and six Ni(2,2,2) atoms. In the fifth Th site, Th(1) is bonded in a 6-coordinate geometry to three equivalent Ni(3); three equivalent Ni(4); six equivalent Ni(1); and six Ni(2,2) atoms. There are eight inequivalent Ni sites. In the first Ni site, Ni(2) is bonded to four Th(1,1); two equivalent Ni(3); two equivalent Ni(4); and four Ni(2,2) atoms to form NiTh4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Th4Ni8 cuboctahedra; corners with twelve equivalent Ni(1)Th5Ni7 cuboctahedra; edges with two equivalent Ni(2)Th4Ni8 cuboctahedra; edges with eight equivalent Ni(1)Th5Ni7 cuboctahedra; faces with two equivalent Ni(1)Th5Ni7 cuboctahedra; and faces with eight Ni(2,2)Th4Ni8 cuboctahedra. In the second Ni site, Ni(2) is bonded to four Th(1,1); two equivalent Ni(3); two equivalent Ni(4); and four Ni(2,2) atoms to form NiTh4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Th4Ni8 cuboctahedra; corners with twelve equivalent Ni(1)Th5Ni7 cuboctahedra; edges with two equivalent Ni(2)Th4Ni8 cuboctahedra; edges with eight equivalent Ni(1)Th5Ni7 cuboctahedra; faces with two equivalent Ni(1)Th5Ni7 cuboctahedra; and faces with eight Ni(2,2)Th4Ni8 cuboctahedra. In the third Ni site, Ni(2) is bonded to four Th(1,1); two equivalent Ni(3); two equivalent Ni(4); and four Ni(2,2) atoms to form NiTh4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Th4Ni8 cuboctahedra; corners with twelve equivalent Ni(1)Th5Ni7 cuboctahedra; edges with two equivalent Ni(2)Th4Ni8 cuboctahedra; edges with eight equivalent Ni(1)Th5Ni7 cuboctahedra; faces with two equivalent Ni(1)Th5Ni7 cuboctahedra; and faces with eight Ni(2,2)Th4Ni8 cuboctahedra. In the fourth Ni site, Ni(1) is bonded to two equivalent Th(1), three equivalent Th(2), one Ni(3), one Ni(4), one Ni(5), and four equivalent Ni(1) atoms to form distorted NiTh5Ni7 cuboctahedra that share corners with two equivalent Ni(5)Th6Ni6 cuboctahedra, corners with six equivalent Ni(2)Th4Ni8 cuboctahedra, corners with nine equivalent Ni(1)Th5Ni7 cuboctahedra, edges with four equivalent Ni(2)Th4Ni8 cuboctahedra, edges with four equivalent Ni(1)Th5Ni7 cuboctahedra,  a faceface with one Ni(2)Th4Ni8 cuboctahedra, faces with three equivalent Ni(5)Th6Ni6 cuboctahedra, and faces with ten equivalent Ni(1)Th5Ni7 cuboctahedra. In the fifth Ni site, Ni(2) is bonded to four Th(1,1); two equivalent Ni(3); two equivalent Ni(4); and four equivalent Ni(2) atoms to form NiTh4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Th4Ni8 cuboctahedra, corners with twelve equivalent Ni(1)Th5Ni7 cuboctahedra, edges with two equivalent Ni(2)Th4Ni8 cuboctahedra, edges with eight equivalent Ni(1)Th5Ni7 cuboctahedra, faces with two equivalent Ni(1)Th5Ni7 cuboctahedra, and faces with eight equivalent Ni(2)Th4Ni8 cuboctahedra. In the sixth Ni site, Ni(3) is bonded in a 12-coordinate geometry to three equivalent Th(1); three equivalent Ni(1); three Ni(2,2,2); and three equivalent Ni(4) atoms. In the seventh Ni site, Ni(4) is bonded in a 12-coordinate geometry to three equivalent Th(1), three equivalent Ni(1), three equivalent Ni(2), and three equivalent Ni(3) atoms. In the eighth Ni site, Ni(5) is bonded to six equivalent Th(2) and six equivalent Ni(1) atoms to form NiTh6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Th5Ni7 cuboctahedra, edges with six equivalent Ni(5)Th6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Th5Ni7 cuboctahedra. is represented by the CIF file [CIF]
data_Th2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.976
_cell_length_b   4.976
_cell_length_c   12.739
_cell_angle_alpha   78.737
_cell_angle_beta   78.737
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   266.164
_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
  Th  Th0  1  0.950  0.950  0.150  1.0
  Th  Th1  1  0.050  0.050  0.850  1.0
  Th  Th2  1  0.855  0.855  0.435  1.0
  Th  Th3  1  0.145  0.145  0.565  1.0
  Ni  Ni4  1  0.390  0.390  0.329  1.0
  Ni  Ni5  1  0.892  0.390  0.329  1.0
  Ni  Ni6  1  0.390  0.892  0.329  1.0
  Ni  Ni7  1  0.610  0.610  0.671  1.0
  Ni  Ni8  1  0.108  0.610  0.671  1.0
  Ni  Ni9  1  0.610  0.108  0.671  1.0
  Ni  Ni10  1  0.000  0.500  0.000  1.0
  Ni  Ni11  1  0.500  0.000  0.000  1.0
  Ni  Ni12  1  0.500  0.500  0.000  1.0
  Ni  Ni13  1  0.722  0.722  0.835  1.0
  Ni  Ni14  1  0.278  0.278  0.165  1.0
  Ni  Ni15  1  0.612  0.612  0.165  1.0
  Ni  Ni16  1  0.388  0.388  0.835  1.0
  Ni  Ni17  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material described by Th2Ni7 crystallizes in the trigonal R-3m space group. There are five inequivalent Th sites. In the first Th site, Th(1) is bonded in a 6-coordinate geometry to three equivalent Ni(3), three equivalent Ni(4), six equivalent Ni(1), and six equivalent Ni(2) atoms. In the second Th site, Th(1) is bonded in a 6-coordinate geometry to three equivalent Ni(3); three equivalent Ni(4); six equivalent Ni(1); and six Ni(2,2,2) atoms. In the third Th site, Th(2) is bonded in a 12-coordinate geometry to three equivalent Ni(5) and nine equivalent Ni(1) atoms. In the fourth Th site, Th(1) is bonded in a 6-coordinate geometry to three equivalent Ni(3); three equivalent Ni(4); six equivalent Ni(1); and six Ni(2,2,2) atoms. In the fifth Th site, Th(1) is bonded in a 6-coordinate geometry to three equivalent Ni(3); three equivalent Ni(4); six equivalent Ni(1); and six Ni(2,2) atoms. There are eight inequivalent Ni sites. In the first Ni site, Ni(2) is bonded to four Th(1,1); two equivalent Ni(3); two equivalent Ni(4); and four Ni(2,2) atoms to form NiTh4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Th4Ni8 cuboctahedra; corners with twelve equivalent Ni(1)Th5Ni7 cuboctahedra; edges with two equivalent Ni(2)Th4Ni8 cuboctahedra; edges with eight equivalent Ni(1)Th5Ni7 cuboctahedra; faces with two equivalent Ni(1)Th5Ni7 cuboctahedra; and faces with eight Ni(2,2)Th4Ni8 cuboctahedra. In the second Ni site, Ni(2) is bonded to four Th(1,1); two equivalent Ni(3); two equivalent Ni(4); and four Ni(2,2) atoms to form NiTh4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Th4Ni8 cuboctahedra; corners with twelve equivalent Ni(1)Th5Ni7 cuboctahedra; edges with two equivalent Ni(2)Th4Ni8 cuboctahedra; edges with eight equivalent Ni(1)Th5Ni7 cuboctahedra; faces with two equivalent Ni(1)Th5Ni7 cuboctahedra; and faces with eight Ni(2,2)Th4Ni8 cuboctahedra. In the third Ni site, Ni(2) is bonded to four Th(1,1); two equivalent Ni(3); two equivalent Ni(4); and four Ni(2,2) atoms to form NiTh4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Th4Ni8 cuboctahedra; corners with twelve equivalent Ni(1)Th5Ni7 cuboctahedra; edges with two equivalent Ni(2)Th4Ni8 cuboctahedra; edges with eight equivalent Ni(1)Th5Ni7 cuboctahedra; faces with two equivalent Ni(1)Th5Ni7 cuboctahedra; and faces with eight Ni(2,2)Th4Ni8 cuboctahedra. In the fourth Ni site, Ni(1) is bonded to two equivalent Th(1), three equivalent Th(2), one Ni(3), one Ni(4), one Ni(5), and four equivalent Ni(1) atoms to form distorted NiTh5Ni7 cuboctahedra that share corners with two equivalent Ni(5)Th6Ni6 cuboctahedra, corners with six equivalent Ni(2)Th4Ni8 cuboctahedra, corners with nine equivalent Ni(1)Th5Ni7 cuboctahedra, edges with four equivalent Ni(2)Th4Ni8 cuboctahedra, edges with four equivalent Ni(1)Th5Ni7 cuboctahedra,  a faceface with one Ni(2)Th4Ni8 cuboctahedra, faces with three equivalent Ni(5)Th6Ni6 cuboctahedra, and faces with ten equivalent Ni(1)Th5Ni7 cuboctahedra. In the fifth Ni site, Ni(2) is bonded to four Th(1,1); two equivalent Ni(3); two equivalent Ni(4); and four equivalent Ni(2) atoms to form NiTh4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Th4Ni8 cuboctahedra, corners with twelve equivalent Ni(1)Th5Ni7 cuboctahedra, edges with two equivalent Ni(2)Th4Ni8 cuboctahedra, edges with eight equivalent Ni(1)Th5Ni7 cuboctahedra, faces with two equivalent Ni(1)Th5Ni7 cuboctahedra, and faces with eight equivalent Ni(2)Th4Ni8 cuboctahedra. In the sixth Ni site, Ni(3) is bonded in a 12-coordinate geometry to three equivalent Th(1); three equivalent Ni(1); three Ni(2,2,2); and three equivalent Ni(4) atoms. In the seventh Ni site, Ni(4) is bonded in a 12-coordinate geometry to three equivalent Th(1), three equivalent Ni(1), three equivalent Ni(2), and three equivalent Ni(3) atoms. In the eighth Ni site, Ni(5) is bonded to six equivalent Th(2) and six equivalent Ni(1) atoms to form NiTh6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Th5Ni7 cuboctahedra, edges with six equivalent Ni(5)Th6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Th5Ni7 cuboctahedra. is represented by the CIF file [CIF]
data_Th2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.976
_cell_length_b   4.976
_cell_length_c   12.739
_cell_angle_alpha   78.737
_cell_angle_beta   78.737
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   266.164
_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
  Th  Th0  1  0.950  0.950  0.150  1.0
  Th  Th1  1  0.050  0.050  0.850  1.0
  Th  Th2  1  0.855  0.855  0.435  1.0
  Th  Th3  1  0.145  0.145  0.565  1.0
  Ni  Ni4  1  0.390  0.390  0.329  1.0
  Ni  Ni5  1  0.892  0.390  0.329  1.0
  Ni  Ni6  1  0.390  0.892  0.329  1.0
  Ni  Ni7  1  0.610  0.610  0.671  1.0
  Ni  Ni8  1  0.108  0.610  0.671  1.0
  Ni  Ni9  1  0.610  0.108  0.671  1.0
  Ni  Ni10  1  0.000  0.500  0.000  1.0
  Ni  Ni11  1  0.500  0.000  0.000  1.0
  Ni  Ni12  1  0.500  0.500  0.000  1.0
  Ni  Ni13  1  0.722  0.722  0.835  1.0
  Ni  Ni14  1  0.278  0.278  0.165  1.0
  Ni  Ni15  1  0.612  0.612  0.165  1.0
  Ni  Ni16  1  0.388  0.388  0.835  1.0
  Ni  Ni17  1  0.500  0.500  0.500  1.0
[/CIF]
.