La3Ni3Zn crystallizes in the orthorhombic Cmcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), and three equivalent Zn(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to three equivalent Ni(1), four equivalent Ni(2), and two equivalent Zn(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent La(2), four equivalent La(1), and two equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to two equivalent La(2), four equivalent La(1), one Ni(1), one Ni(2), and two equivalent Zn(1) atoms. Zn(1) is bonded to two equivalent La(2), six equivalent La(1), and four equivalent Ni(2) atoms to form a mixture of distorted edge, face, and corner-sharing ZnLa8Ni4 cuboctahedra.
La3Ni3Zn crystallizes in the orthorhombic Cmcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), and three equivalent Zn(1) atoms. Both La(1)-Ni(1) bond lengths are 3.04 Å. There are a spread of La(1)-Ni(2) bond distances ranging from 2.92-3.07 Å. There is one shorter (3.28 Å) and two longer (3.35 Å) La(1)-Zn(1) bond lengths. In the second La site, La(2) is bonded in a 9-coordinate geometry to three equivalent Ni(1), four equivalent Ni(2), and two equivalent Zn(1) atoms. There are two shorter (2.96 Å) and one longer (3.06 Å) La(2)-Ni(1) bond length. All La(2)-Ni(2) bond lengths are 3.17 Å. Both La(2)-Zn(1) bond lengths are 3.41 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent La(2), four equivalent La(1), and two equivalent Ni(2) atoms. Both Ni(1)-Ni(2) bond lengths are 2.62 Å. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to two equivalent La(2), four equivalent La(1), one Ni(1), one Ni(2), and two equivalent Zn(1) atoms. The Ni(2)-Ni(2) bond length is 2.79 Å. Both Ni(2)-Zn(1) bond lengths are 2.55 Å. Zn(1) is bonded to two equivalent La(2), six equivalent La(1), and four equivalent Ni(2) atoms to form a mixture of distorted edge, face, and corner-sharing ZnLa8Ni4 cuboctahedra.