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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce2CoSi3 by Materials Project

Ce2CoSi3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Ce–Si bond lengths are 3.08 Å. In the second Ce4+ site, Ce4+ is bonded to twelve equivalent Si4- atoms to form face-sharing CeSi12 cuboctahedra. All Ce–Si bond lengths are 3.13 Å. Co4+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Co–Si bond lengths are 2.27 Å. Si4- is bonded in a 9-coordinate geometry to six Ce4+, one Co4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.37 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2CoSi3 by Materials Project

Ce2CoSi3 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 (3.03 Å) and six longer (3.16 Å) Ce–Si bond lengths. Co4+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Co–Si bond lengths are 2.34 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 2.34 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Ce4+ and three equivalent Co4+ atoms. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Ce4+ and three equivalent Si4- atoms.

36 MATERIALS SCIENCE↗