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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeVO4 by Materials Project

CeVO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.37 Å) and four longer (2.50 Å) Ce–O bond lengths. V5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.77 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Ce3+ and one V5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeVO4 by Materials Project

CeVO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ce–O bond distances ranging from 2.46–2.91 Å. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.74–1.76 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ce3+ and one V5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ce3+ and one V5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ce3+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ce3+ and one V5+ atom.

36 MATERIALS SCIENCE↗