Materials Data on CeSe2 by Materials Project

Abstract

CeSe2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to eight Se2- atoms to form distorted edge-sharing CeSe8 hexagonal bipyramids. There are a spread of Ce–Se bond distances ranging from 2.89–3.17 Å. In the second Ce4+ site, Ce4+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.81–3.30 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four Ce4+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four Ce4+ atoms. In the third Se2- site, Se2- is bonded in a T-shaped geometry to three Ce4+ atoms.