Materials Data on Ce(NF3)2 by Materials Project

Abstract

CeF4(NF)2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of eight monofluoroamine molecules and two CeF4 ribbons oriented in the (1, 0, 0) direction. In each CeF4 ribbon, there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to six F1- atoms to form edge-sharing CeF6 octahedra. There are a spread of Ce–F bond distances ranging from 2.03–2.30 Å. In the second Ce4+ site, Ce4+ is bonded to six F1- atoms to form edge-sharing CeF6 octahedra. There are a spread of Ce–F bond distances ranging from 2.03–2.30 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a water-like geometry to two Ce4+ atoms. In the second F1- site, F1- is bonded in a water-like geometry to two Ce4+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Ce4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Ce4+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Ce4+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Ce4+ atom. In the seventh F1- site, F1- is bonded in a water-like geometry to two Ce4+ atoms. In the eighth F1- site, F1- is bonded in a water-like geometry to two Ce4+ atoms.