Materials Data on HoH12C2O4F by Materials Project

Abstract

HoC2O4F(H2)6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of twenty-eight hydrogen molecules and one HoC2O4F framework. In the HoC2O4F framework, Ho3+ is bonded in a 6-coordinate geometry to four O2- and two equivalent F1- atoms. There are two shorter (2.30 Å) and two longer (2.39 Å) Ho–O bond lengths. Both Ho–F bond lengths are 2.30 Å. C3- is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees 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. F1- is bonded in a linear geometry to two equivalent Ho3+ atoms.