TaVNi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(1); three Ta(2,2); one V(3); two equivalent V(1); two equivalent V(2); three equivalent Ni(1); and four equivalent Ni(2) atoms. In the second Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Ta(1), one V(1), two equivalent V(3), four equivalent V(2), two equivalent Ni(2), and three equivalent Ni(1) atoms. In the third Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Ta(1), one V(1), two equivalent V(3), four equivalent V(2), two equivalent Ni(2), and three equivalent Ni(1) atoms. In the fourth Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(1), three equivalent Ta(2), one V(3), two equivalent V(1), two equivalent V(2), three equivalent Ni(1), and four equivalent Ni(2) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to two Ta(2,2); four Ta(1,1); two equivalent Ni(1); and four equivalent Ni(2) atoms to form distorted VTa6Ni6 cuboctahedra that share corners with two equivalent V(3)Ta6V4Ni2 cuboctahedra, corners with four equivalent V(1)Ta6Ni6 cuboctahedra, corners with four equivalent Ni(1)Ta6V4Ni2 cuboctahedra, corners with eight equivalent V(2)Ta6V4Ni2 cuboctahedra, edges with two equivalent V(1)Ta6Ni6 cuboctahedra, edges with four equivalent V(3)Ta6V4Ni2 cuboctahedra, faces with four equivalent V(2)Ta6V4Ni2 cuboctahedra, faces with six equivalent Ni(1)Ta6V4Ni2 cuboctahedra, and faces with eight equivalent Ni(2)Ta6V2Ni4 cuboctahedra. In the second V site, V(2) is bonded to two Ta(1,1); four Ta(2,2); two equivalent V(2); two equivalent V(3); and two equivalent Ni(1) atoms to form distorted VTa6V4Ni2 cuboctahedra that share corners with four equivalent V(1)Ta6Ni6 cuboctahedra, corners with four equivalent V(2)Ta6V4Ni2 cuboctahedra, corners with four equivalent Ni(1)Ta6V4Ni2 cuboctahedra, corners with six equivalent Ni(2)Ta6V2Ni4 cuboctahedra, edges with two equivalent V(2)Ta6V4Ni2 cuboctahedra, edges with four equivalent Ni(2)Ta6V2Ni4 cuboctahedra, faces with two equivalent V(1)Ta6Ni6 cuboctahedra, faces with two equivalent Ni(2)Ta6V2Ni4 cuboctahedra, faces with four equivalent V(2)Ta6V4Ni2 cuboctahedra, faces with four equivalent V(3)Ta6V4Ni2 cuboctahedra, and faces with six equivalent Ni(1)Ta6V4Ni2 cuboctahedra. In the third V site, V(3) is bonded to two Ta(1,1); four Ta(2,2); four equivalent V(2); and two equivalent Ni(1) atoms to form distorted VTa6V4Ni2 cuboctahedra that share corners with two equivalent V(1)Ta6Ni6 cuboctahedra, corners with four equivalent V(3)Ta6V4Ni2 cuboctahedra, corners with four equivalent Ni(1)Ta6V4Ni2 cuboctahedra, corners with eight equivalent Ni(2)Ta6V2Ni4 cuboctahedra, edges with two equivalent V(3)Ta6V4Ni2 cuboctahedra, edges with four equivalent V(1)Ta6Ni6 cuboctahedra, faces with four equivalent Ni(2)Ta6V2Ni4 cuboctahedra, faces with six equivalent Ni(1)Ta6V4Ni2 cuboctahedra, and faces with eight equivalent V(2)Ta6V4Ni2 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Ta(1); three Ta(2,2); one V(1); one V(3); two equivalent V(2); and two equivalent Ni(2) atoms to form distorted NiTa6V4Ni2 cuboctahedra that share corners with two equivalent V(1)Ta6Ni6 cuboctahedra, corners with two equivalent V(3)Ta6V4Ni2 cuboctahedra, corners with four equivalent V(2)Ta6V4Ni2 cuboctahedra, corners with four equivalent Ni(2)Ta6V2Ni4 cuboctahedra, edges with six equivalent Ni(1)Ta6V4Ni2 cuboctahedra, faces with two equivalent Ni(1)Ta6V4Ni2 cuboctahedra, faces with three equivalent V(1)Ta6Ni6 cuboctahedra, faces with three equivalent V(3)Ta6V4Ni2 cuboctahedra, faces with six equivalent V(2)Ta6V4Ni2 cuboctahedra, and faces with six equivalent Ni(2)Ta6V2Ni4 cuboctahedra. In the second Ni site, Ni(2) is bonded to two Ta(2,2); four Ta(1,1); two equivalent V(1); two equivalent Ni(1); and two equivalent Ni(2) atoms to form distorted NiTa6V2Ni4 cuboctahedra that share corners with four equivalent V(3)Ta6V4Ni2 cuboctahedra, corners with four equivalent Ni(2)Ta6V2Ni4 cuboctahedra, corners with four equivalent Ni(1)Ta6V4Ni2 cuboctahedra, corners with six equivalent V(2)Ta6V4Ni2 cuboctahedra, edges with two equivalent Ni(2)Ta6V2Ni4 cuboctahedra, edges with four equivalent V(2)Ta6V4Ni2 cuboctahedra, faces with two equivalent V(2)Ta6V4Ni2 cuboctahedra, faces with two equivalent V(3)Ta6V4Ni2 cuboctahedra, faces with four equivalent V(1)Ta6Ni6 cuboctahedra, faces with four equivalent Ni(2)Ta6V2Ni4 cuboctahedra, and faces with six equivalent Ni(1)Ta6V4Ni2 cuboctahedra.
TaVNi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(1); three Ta(2,2); one V(3); two equivalent V(1); two equivalent V(2); three equivalent Ni(1); and four equivalent Ni(2) atoms. The Ta(1)-Ta(1) bond length is 2.97 Å. There are two shorter (3.00 Å) and one longer (3.03 Å) Ta(1)-Ta(2,2) bond length. The Ta(1)-V(3) bond length is 2.86 Å. Both Ta(1)-V(1) bond lengths are 2.87 Å. Both Ta(1)-V(2) bond lengths are 2.92 Å. There is one shorter (2.82 Å) and two longer (2.92 Å) Ta(1)-Ni(1) bond lengths. There are two shorter (2.78 Å) and two longer (2.98 Å) Ta(1)-Ni(2) bond lengths. In the second Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Ta(1), one V(1), two equivalent V(3), four equivalent V(2), two equivalent Ni(2), and three equivalent Ni(1) atoms. The Ta(2)-Ta(2) bond length is 3.12 Å. The Ta(2)-V(1) bond length is 2.91 Å. Both Ta(2)-V(3) bond lengths are 2.91 Å. There are two shorter (2.88 Å) and two longer (2.96 Å) Ta(2)-V(2) bond lengths. Both Ta(2)-Ni(2) bond lengths are 2.80 Å. There are two shorter (2.85 Å) and one longer (2.95 Å) Ta(2)-Ni(1) bond length. In the third Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Ta(1), one V(1), two equivalent V(3), four equivalent V(2), two equivalent Ni(2), and three equivalent Ni(1) atoms. There are two shorter (3.00 Å) and one longer (3.03 Å) Ta(2)-Ta(1) bond length. The Ta(2)-V(1) bond length is 2.91 Å. Both Ta(2)-V(3) bond lengths are 2.91 Å. There are two shorter (2.88 Å) and two longer (2.96 Å) Ta(2)-V(2) bond lengths. Both Ta(2)-Ni(2) bond lengths are 2.80 Å. There are two shorter (2.85 Å) and one longer (2.95 Å) Ta(2)-Ni(1) bond length. In the fourth Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(1), three equivalent Ta(2), one V(3), two equivalent V(1), two equivalent V(2), three equivalent Ni(1), and four equivalent Ni(2) atoms. The Ta(1)-V(3) bond length is 2.86 Å. Both Ta(1)-V(1) bond lengths are 2.87 Å. Both Ta(1)-V(2) bond lengths are 2.92 Å. There is one shorter (2.82 Å) and two longer (2.92 Å) Ta(1)-Ni(1) bond lengths. There are two shorter (2.78 Å) and two longer (2.98 Å) Ta(1)-Ni(2) bond lengths. There are three inequivalent V sites. In the first V site, V(1) is bonded to two Ta(2,2); four Ta(1,1); two equivalent Ni(1); and four equivalent Ni(2) atoms to form distorted VTa6Ni6 cuboctahedra that share corners with two equivalent V(3)Ta6V4Ni2 cuboctahedra, corners with four equivalent V(1)Ta6Ni6 cuboctahedra, corners with four equivalent Ni(1)Ta6V4Ni2 cuboctahedra, corners with eight equivalent V(2)Ta6V4Ni2 cuboctahedra, edges with two equivalent V(1)Ta6Ni6 cuboctahedra, edges with four equivalent V(3)Ta6V4Ni2 cuboctahedra, faces with four equivalent V(2)Ta6V4Ni2 cuboctahedra, faces with six equivalent Ni(1)Ta6V4Ni2 cuboctahedra, and faces with eight equivalent Ni(2)Ta6V2Ni4 cuboctahedra. Both V(1)-Ni(1) bond lengths are 2.40 Å. There are two shorter (2.44 Å) and two longer (2.49 Å) V(1)-Ni(2) bond lengths. In the second V site, V(2) is bonded to two Ta(1,1); four Ta(2,2); two equivalent V(2); two equivalent V(3); and two equivalent Ni(1) atoms to form distorted VTa6V4Ni2 cuboctahedra that share corners with four equivalent V(1)Ta6Ni6 cuboctahedra, corners with four equivalent V(2)Ta6V4Ni2 cuboctahedra, corners with four equivalent Ni(1)Ta6V4Ni2 cuboctahedra, corners with six equivalent Ni(2)Ta6V2Ni4 cuboctahedra, edges with two equivalent V(2)Ta6V4Ni2 cuboctahedra, edges with four equivalent Ni(2)Ta6V2Ni4 cuboctahedra, faces with two equivalent V(1)Ta6Ni6 cuboctahedra, faces with two equivalent Ni(2)Ta6V2Ni4 cuboctahedra, faces with four equivalent V(2)Ta6V4Ni2 cuboctahedra, faces with four equivalent V(3)Ta6V4Ni2 cuboctahedra, and faces with six equivalent Ni(1)Ta6V4Ni2 cuboctahedra. There is one shorter (2.41 Å) and one longer (2.50 Å) V(2)-V(2) bond length. There is one shorter (2.39 Å) and one longer (2.54 Å) V(2)-V(3) bond length. Both V(2)-Ni(1) bond lengths are 2.51 Å. In the third V site, V(3) is bonded to two Ta(1,1); four Ta(2,2); four equivalent V(2); and two equivalent Ni(1) atoms to form distorted VTa6V4Ni2 cuboctahedra that share corners with two equivalent V(1)Ta6Ni6 cuboctahedra, corners with four equivalent V(3)Ta6V4Ni2 cuboctahedra, corners with four equivalent Ni(1)Ta6V4Ni2 cuboctahedra, corners with eight equivalent Ni(2)Ta6V2Ni4 cuboctahedra, edges with two equivalent V(3)Ta6V4Ni2 cuboctahedra, edges with four equivalent V(1)Ta6Ni6 cuboctahedra, faces with four equivalent Ni(2)Ta6V2Ni4 cuboctahedra, faces with six equivalent Ni(1)Ta6V4Ni2 cuboctahedra, and faces with eight equivalent V(2)Ta6V4Ni2 cuboctahedra. Both V(3)-Ni(1) bond lengths are 2.53 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Ta(1); three Ta(2,2); one V(1); one V(3); two equivalent V(2); and two equivalent Ni(2) atoms to form distorted NiTa6V4Ni2 cuboctahedra that share corners with two equivalent V(1)Ta6Ni6 cuboctahedra, corners with two equivalent V(3)Ta6V4Ni2 cuboctahedra, corners with four equivalent V(2)Ta6V4Ni2 cuboctahedra, corners with four equivalent Ni(2)Ta6V2Ni4 cuboctahedra, edges with six equivalent Ni(1)Ta6V4Ni2 cuboctahedra, faces with two equivalent Ni(1)Ta6V4Ni2 cuboctahedra, faces with three equivalent V(1)Ta6Ni6 cuboctahedra, faces with three equivalent V(3)Ta6V4Ni2 cuboctahedra, faces with six equivalent V(2)Ta6V4Ni2 cuboctahedra, and faces with six equivalent Ni(2)Ta6V2Ni4 cuboctahedra. Both Ni(1)-Ni(2) bond lengths are 2.47 Å. In the second Ni site, Ni(2) is bonded to two Ta(2,2); four Ta(1,1); two equivalent V(1); two equivalent Ni(1); and two equivalent Ni(2) atoms to form distorted NiTa6V2Ni4 cuboctahedra that share corners with four equivalent V(3)Ta6V4Ni2 cuboctahedra, corners with four equivalent Ni(2)Ta6V2Ni4 cuboctahedra, corners with four equivalent Ni(1)Ta6V4Ni2 cuboctahedra, corners with six equivalent V(2)Ta6V4Ni2 cuboctahedra, edges with two equivalent Ni(2)Ta6V2Ni4 cuboctahedra, edges with four equivalent V(2)Ta6V4Ni2 cuboctahedra, faces with two equivalent V(2)Ta6V4Ni2 cuboctahedra, faces with two equivalent V(3)Ta6V4Ni2 cuboctahedra, faces with four equivalent V(1)Ta6Ni6 cuboctahedra, faces with four equivalent Ni(2)Ta6V2Ni4 cuboctahedra, and faces with six equivalent Ni(1)Ta6V4Ni2 cuboctahedra. There is one shorter (2.40 Å) and one longer (2.52 Å) Ni(2)-Ni(2) bond length.