Materials Data on Ce2Si3Ni by Materials Project

Abstract

Ce2NiSi3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce4+ is bonded in a distorted q4 geometry to nine Si4- atoms. There are three shorter (3.05 Å) and six longer (3.13 Å) Ce–Si bond lengths. Ni4+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Ni–Si bond lengths are 2.35 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Ce4+ and three equivalent Si4- atoms. All Si–Si bond lengths are 2.35 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Ce4+ and three equivalent Ni4+ atoms. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Ce4+ and three equivalent Si4- atoms.