Materials Data on CeSi2Ir by Materials Project

Abstract

CeIrSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are eight shorter (3.19 Å) and two longer (3.22 Å) Ce–Si bond lengths. Ir5+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are one shorter (2.37 Å) and four longer (2.43 Å) Ir–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 1-coordinate geometry to six equivalent Ce3+, one Ir5+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.42 Å. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Ce3+ and four equivalent Ir5+ atoms.