Materials Data on Sc3Hg by Materials Project
Sc3Hg is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Hg atoms to form distorted ScSc8Hg4 cuboctahedra that share corners with four equivalent HgSc12 cuboctahedra, corners with fourteen equivalent ScSc8Hg4 cuboctahedra, edges with six equivalent HgSc12 cuboctahedra, edges with twelve equivalent ScSc8Hg4 cuboctahedra, faces with four equivalent HgSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Hg4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.11–3.24 Å. There are two shorter (3.17 Å) and two longer (3.18 Å) Sc–Hg bond lengths. Hg is bonded to twelve equivalent Sc atoms to form HgSc12 cuboctahedra that share corners with six equivalent HgSc12 cuboctahedra, corners with twelve equivalent ScSc8Hg4 cuboctahedra, edges with eighteen equivalent ScSc8Hg4 cuboctahedra, faces with eight equivalent HgSc12 cuboctahedra, and faces with twelve equivalent ScSc8Hg4 cuboctahedra.