Materials Data on ErPtF7 by Materials Project

Abstract

ErPtF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.15–2.40 Å. Pt4+ is bonded in an octahedral geometry to six F1- atoms. There is one shorter (1.96 Å) and five longer (1.97 Å) Pt–F bond length. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Er3+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one Pt4+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Er3+ and one Pt4+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Er3+ and one Pt4+ atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one Er3+ and one Pt4+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Er3+ and one Pt4+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Er3+ and one Pt4+ atom.