Materials Data on Yb2Si2O7 by Materials Project
Yb2Si2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb3+ is bonded to six O2- atoms to form distorted YbO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent YbO6 octahedra. There are two shorter (2.30 Å) and four longer (2.35 Å) Yb–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent YbO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–57°. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Yb3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one Si4+ atom.