DOE OSTI2020
Mg6CdIn is Uranium Silicide-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg, two equivalent Cd, and two equivalent In atoms to form distorted MgMg8Cd2In2 cuboctahedra that share corners with four equivalent CdMg12 cuboctahedra, corners with fourteen equivalent MgMg8Cd2In2 cuboctahedra, edges with two equivalent CdMg12 cuboctahedra, edges with four equivalent InMg12 cuboctahedra, edges with twelve MgMg8Cd2In2 cuboctahedra, faces with two equivalent CdMg12 cuboctahedra, faces with two equivalent InMg12 cuboctahedra, and faces with sixteen MgMg8Cd2In2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.18 Å. Both Mg–Cd bond lengths are 3.16 Å. Both Mg–In bond lengths are 3.18 Å. In the second Mg site, Mg is bonded to eight Mg, two equivalent Cd, and two equivalent In atoms to form distorted MgMg8Cd2In2 cuboctahedra that share corners with four equivalent InMg12 cuboctahedra, corners with fourteen MgMg8Cd2In2 cuboctahedra, edges with two equivalent InMg12 cuboctahedra, edges with four equivalent CdMg12 cuboctahedra, edges with twelve MgMg8Cd2In2 cuboctahedra, faces with two equivalent CdMg12 cuboctahedra, faces with two equivalent InMg12 cuboctahedra, and faces with sixteen MgMg8Cd2In2 cuboctahedra. There are two shorter (3.15 Å) and two longer (3.18 Å) Mg–Mg bond lengths. Both Mg–Cd bond lengths are 3.17 Å. Both Mg–In bond lengths are 3.16 Å. In the third Mg site, Mg is bonded to eight Mg, two equivalent Cd, and two equivalent In atoms to form distorted MgMg8Cd2In2 cuboctahedra that share corners with four equivalent InMg12 cuboctahedra, corners with fourteen MgMg8Cd2In2 cuboctahedra, edges with two equivalent InMg12 cuboctahedra, edges with four equivalent CdMg12 cuboctahedra, edges with twelve MgMg8Cd2In2 cuboctahedra, faces with two equivalent CdMg12 cuboctahedra, faces with two equivalent InMg12 cuboctahedra, and faces with sixteen MgMg8Cd2In2 cuboctahedra. Both Mg–Cd bond lengths are 3.17 Å. Both Mg–In bond lengths are 3.16 Å. Cd is bonded to twelve Mg atoms to form CdMg12 cuboctahedra that share corners with six equivalent CdMg12 cuboctahedra, corners with twelve equivalent MgMg8Cd2In2 cuboctahedra, edges with eighteen MgMg8Cd2In2 cuboctahedra, faces with two equivalent CdMg12 cuboctahedra, faces with six equivalent InMg12 cuboctahedra, and faces with twelve MgMg8Cd2In2 cuboctahedra. In is bonded to twelve Mg atoms to form InMg12 cuboctahedra that share corners with six equivalent InMg12 cuboctahedra, corners with twelve MgMg8Cd2In2 cuboctahedra, edges with eighteen MgMg8Cd2In2 cuboctahedra, faces with two equivalent InMg12 cuboctahedra, faces with six equivalent CdMg12 cuboctahedra, and faces with twelve MgMg8Cd2In2 cuboctahedra.