Materials Data on LaCeF6 by Materials Project

Abstract

CeLaF6 is Sodium arsenide-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ce3+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of Ce–F bond distances ranging from 2.40–2.80 Å. La3+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of La–F bond distances ranging from 2.40–2.79 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent La3+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Ce3+ and one La3+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Ce3+ and three equivalent La3+ atoms.