Materials Data on YbTl(WO4)2 by Materials Project

YbTl(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Yb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Yb–O bond distances ranging from 2.27–2.41 Å. W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of W–O bond distances ranging from 1.81–2.18 Å. Tl1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Tl–O bond distances ranging from 2.60–3.35 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent W6+ and two equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Yb3+, one W6+, and one Tl1+ atom. In the third O2- site, O2- is bonded to one Yb3+, two equivalent W6+, and one Tl1+ atom to form a mixture of distorted edge and corner-sharing OYbTlW2 tetrahedra. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Yb3+, one W6+, and one Tl1+ atom.