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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeF3 by Materials Project

CeF3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Ce3+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Ce–F bond distances ranging from 2.37–2.94 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Ce3+ and one F1- atom. The F–F bond length is 2.54 Å. In the third F1- site, F1- is bonded to six equivalent Ce3+ and six equivalent F1- atoms to form face-sharing FCe6F6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeF3 by Materials Project

CeF3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Ce–F bond distances ranging from 2.41–2.63 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Ce3+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeF4 by Materials Project

CeF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ce–F bond distances ranging from 2.23–2.33 Å. In the second Ce4+ site, Ce4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are six shorter (2.26 Å) and two longer (2.37 Å) Ce–F bond lengths. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Ce4+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to two equivalent Ce4+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two Ce4+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ce4+ atoms. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Ce4+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ce4+ atoms. In the seventh F1- site, F1- is bonded in a distorted linear geometry to two Ce4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeF3 by Materials Project

CeF3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mcm 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 2.40–2.71 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ 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 four equivalent Ce3+ atoms.

36 MATERIALS SCIENCE↗