LaNi4Mn crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 18-coordinate geometry to three equivalent Mn(1), three equivalent Ni(1), and twelve equivalent Ni(2) atoms. Mn(1) is bonded to three equivalent La(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form distorted MnLa3Ni9 cuboctahedra that share corners with nine equivalent Ni(1)La3Mn3Ni6 cuboctahedra, corners with twelve equivalent Ni(2)La4Mn2Ni6 cuboctahedra, edges with six equivalent Mn(1)La3Ni9 cuboctahedra, faces with two equivalent Mn(1)La3Ni9 cuboctahedra, faces with three equivalent Ni(1)La3Mn3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Mn2Ni6 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent La(1), three equivalent Mn(1), and six equivalent Ni(2) atoms to form NiLa3Mn3Ni6 cuboctahedra that share corners with nine equivalent Mn(1)La3Ni9 cuboctahedra, corners with twelve equivalent Ni(2)La4Mn2Ni6 cuboctahedra, edges with six equivalent Ni(1)La3Mn3Ni6 cuboctahedra, faces with two equivalent Ni(1)La3Mn3Ni6 cuboctahedra, faces with three equivalent Mn(1)La3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Mn2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent La(1), two equivalent Mn(1), two equivalent Ni(1), and four equivalent Ni(2) atoms to form distorted NiLa4Mn2Ni6 cuboctahedra that share corners with four equivalent Mn(1)La3Ni9 cuboctahedra, corners with four equivalent Ni(1)La3Mn3Ni6 cuboctahedra, corners with sixteen equivalent Ni(2)La4Mn2Ni6 cuboctahedra, edges with ten equivalent Ni(2)La4Mn2Ni6 cuboctahedra, faces with six equivalent Mn(1)La3Ni9 cuboctahedra, faces with six equivalent Ni(1)La3Mn3Ni6 cuboctahedra, and faces with ten equivalent Ni(2)La4Mn2Ni6 cuboctahedra.
LaNi4Mn crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 18-coordinate geometry to three equivalent Mn(1), three equivalent Ni(1), and twelve equivalent Ni(2) atoms. All La(1)-Mn(1) bond lengths are 2.93 Å. All La(1)-Ni(1) bond lengths are 2.93 Å. All La(1)-Ni(2) bond lengths are 3.23 Å. Mn(1) is bonded to three equivalent La(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form distorted MnLa3Ni9 cuboctahedra that share corners with nine equivalent Ni(1)La3Mn3Ni6 cuboctahedra, corners with twelve equivalent Ni(2)La4Mn2Ni6 cuboctahedra, edges with six equivalent Mn(1)La3Ni9 cuboctahedra, faces with two equivalent Mn(1)La3Ni9 cuboctahedra, faces with three equivalent Ni(1)La3Mn3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Mn2Ni6 cuboctahedra. All Mn(1)-Ni(1) bond lengths are 2.93 Å. All Mn(1)-Ni(2) bond lengths are 2.49 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent La(1), three equivalent Mn(1), and six equivalent Ni(2) atoms to form NiLa3Mn3Ni6 cuboctahedra that share corners with nine equivalent Mn(1)La3Ni9 cuboctahedra, corners with twelve equivalent Ni(2)La4Mn2Ni6 cuboctahedra, edges with six equivalent Ni(1)La3Mn3Ni6 cuboctahedra, faces with two equivalent Ni(1)La3Mn3Ni6 cuboctahedra, faces with three equivalent Mn(1)La3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Mn2Ni6 cuboctahedra. All Ni(1)-Ni(2) bond lengths are 2.48 Å. In the second Ni site, Ni(2) is bonded to four equivalent La(1), two equivalent Mn(1), two equivalent Ni(1), and four equivalent Ni(2) atoms to form distorted NiLa4Mn2Ni6 cuboctahedra that share corners with four equivalent Mn(1)La3Ni9 cuboctahedra, corners with four equivalent Ni(1)La3Mn3Ni6 cuboctahedra, corners with sixteen equivalent Ni(2)La4Mn2Ni6 cuboctahedra, edges with ten equivalent Ni(2)La4Mn2Ni6 cuboctahedra, faces with six equivalent Mn(1)La3Ni9 cuboctahedra, faces with six equivalent Ni(1)La3Mn3Ni6 cuboctahedra, and faces with ten equivalent Ni(2)La4Mn2Ni6 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.56 Å) Ni(2)-Ni(2) bond lengths.