Materials Data on TbF4 by Materials Project

Abstract

TbF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tb–F bond distances ranging from 2.20–2.53 Å. In the second Tb4+ site, Tb4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tb–F bond distances ranging from 2.22–2.36 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Tb4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Tb4+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to two Tb4+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Tb4+ atoms. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Tb4+ atoms. In the sixth F1- site, F1- is bonded in a 2-coordinate geometry to two Tb4+ atoms. In the seventh F1- site, F1- is bonded in a distorted linear geometry to two Tb4+ atoms.