Materials Data on Yb2TeO6 by Materials Project
Yb2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form distorted YbO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with six equivalent YbO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 53–59°. There are a spread of Yb–O bond distances ranging from 2.24–2.43 Å. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with four equivalent TeO6 octahedra, corners with six equivalent YbO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 43–59°. There are four shorter (2.34 Å) and two longer (2.38 Å) Yb–O bond lengths. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent YbO6 octahedra and edges with three equivalent YbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–47°. There is three shorter (1.93 Å) and three longer (1.94 Å) Te–O bond length. In the second Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent YbO6 octahedra and edges with three equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Te–O bond lengths are 1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Yb3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Yb3+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Yb3+ and one Te6+ atom.