Ti2PdNi crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to four equivalent Pd(1) and four equivalent Ni(1) atoms. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to four equivalent Pd(1) and four equivalent Ni(1) atoms. Pd(1) is bonded to four equivalent Ti(1), four equivalent Ti(2), two equivalent Pd(1), and two equivalent Ni(1) atoms to form distorted PdTi8Ni2Pd2 cuboctahedra that share corners with ten equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra, edges with two equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra, edges with four equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra, faces with four equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra, and faces with eight equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra. Ni(1) is bonded to four equivalent Ti(1), four equivalent Ti(2), two equivalent Pd(1), and two equivalent Ni(1) atoms to form distorted NiTi8Ni2Pd2 cuboctahedra that share corners with ten equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra, edges with two equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra, edges with four equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra, faces with four equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra, and faces with eight equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra.
Ti2PdNi crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to four equivalent Pd(1) and four equivalent Ni(1) atoms. All Ti(1)-Pd(1) bond lengths are 2.67 Å. There are two shorter (2.70 Å) and two longer (2.83 Å) Ti(1)-Ni(1) bond lengths. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to four equivalent Pd(1) and four equivalent Ni(1) atoms. There are two shorter (2.66 Å) and two longer (2.86 Å) Ti(2)-Pd(1) bond lengths. All Ti(2)-Ni(1) bond lengths are 2.67 Å. Pd(1) is bonded to four equivalent Ti(1), four equivalent Ti(2), two equivalent Pd(1), and two equivalent Ni(1) atoms to form distorted PdTi8Ni2Pd2 cuboctahedra that share corners with ten equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra, edges with two equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra, edges with four equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra, faces with four equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra, and faces with eight equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra. Both Pd(1)-Pd(1) bond lengths are 2.77 Å. Both Pd(1)-Ni(1) bond lengths are 2.86 Å. Ni(1) is bonded to four equivalent Ti(1), four equivalent Ti(2), two equivalent Pd(1), and two equivalent Ni(1) atoms to form distorted NiTi8Ni2Pd2 cuboctahedra that share corners with ten equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra, edges with two equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra, edges with four equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra, faces with four equivalent Ni(1)Ti8Ni2Pd2 cuboctahedra, and faces with eight equivalent Pd(1)Ti8Ni2Pd2 cuboctahedra. Both Ni(1)-Ni(1) bond lengths are 2.77 Å.