Materials Data on HoH8C2O8F by Materials Project

Abstract

HoC2H4O6F(H2O)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of eight water molecules and one HoC2H4O6F framework. In the HoC2H4O6F framework, Ho3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent F1- atoms. There are a spread of Ho–O bond distances ranging from 2.36–2.45 Å. Both Ho–F bond lengths are 2.17 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ho3+ and one C3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ho3+ and one C3+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Ho3+ and two H1+ atoms. F1- is bonded in a linear geometry to two equivalent Ho3+ atoms.