Materials Data on HoWClO4 by Materials Project

Abstract

HoWO4Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Ho–O bond distances ranging from 2.28–2.68 Å. There are one shorter (2.72 Å) and one longer (2.76 Å) Ho–Cl bond lengths. W6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.79–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Ho3+ and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Ho3+ and one W6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ho3+ and one W6+ atom. Cl1- is bonded in a distorted water-like geometry to two equivalent Ho3+ atoms.