Materials Data on CeAsO5F by Materials Project

Abstract

CeAsO5F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to six O and two equivalent F atoms. There are a spread of Ce–O bond distances ranging from 2.24–2.51 Å. There are one shorter (2.28 Å) and one longer (2.29 Å) Ce–F bond lengths. As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.74 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and one As atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Ce and one As atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Ce and one As atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Ce and one As atom. In the fifth O site, O is bonded in a single-bond geometry to one Ce atom. F is bonded in a bent 120 degrees geometry to two equivalent Ce atoms.