Materials Data on YbMgSi by Materials Project

Abstract

MgYbSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Si4- atoms to form MgSi4 tetrahedra that share corners with eight equivalent MgSi4 tetrahedra, corners with eight equivalent YbSi5 trigonal bipyramids, edges with two equivalent MgSi4 tetrahedra, and edges with six equivalent YbSi5 trigonal bipyramids. There are a spread of Mg–Si bond distances ranging from 2.73–2.82 Å. Yb2+ is bonded to five equivalent Si4- atoms to form distorted YbSi5 trigonal bipyramids that share corners with eight equivalent MgSi4 tetrahedra, corners with eight equivalent YbSi5 trigonal bipyramids, edges with six equivalent MgSi4 tetrahedra, and edges with six equivalent YbSi5 trigonal bipyramids. There are a spread of Yb–Si bond distances ranging from 3.08–3.19 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Mg2+ and five equivalent Yb2+ atoms.