Materials Data on Yb3(OF5)2 by Materials Project

Abstract

Yb3F10O2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional and consists of sixteen water molecules and one Yb3F10 framework. In the Yb3F10 framework, there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Yb–F bond distances ranging from 2.22–2.33 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Yb–F bond distances ranging from 2.28–2.37 Å. There are four inequivalent F sites. In the first F site, F is bonded in a distorted bent 120 degrees geometry to two equivalent Yb atoms. In the second F site, F is bonded in a trigonal non-coplanar geometry to three Yb atoms. In the third F site, F is bonded in a trigonal planar geometry to three Yb atoms. In the fourth F site, F is bonded in a bent 120 degrees geometry to two Yb atoms.