Materials Data on CeSe2 by Materials Project

Abstract

CeSe2 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Ce4+ is bonded in a distorted rectangular see-saw-like geometry to four Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.63–2.87 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a bent 120 degrees geometry to two equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ atoms. In the third Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms. In the fourth Se2- site, Se2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ atoms.