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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeGaCo by Materials Project

CeCoGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce is bonded in a distorted bent 150 degrees geometry to two equivalent Co and seven equivalent Ga atoms. There are one shorter (2.39 Å) and one longer (2.57 Å) Ce–Co bond lengths. There are a spread of Ce–Ga bond distances ranging from 3.16–3.28 Å. Co is bonded in a 2-coordinate geometry to two equivalent Ce and three equivalent Ga atoms. There are two shorter (2.46 Å) and one longer (2.60 Å) Co–Ga bond lengths. Ga is bonded in a 5-coordinate geometry to seven equivalent Ce, three equivalent Co, and one Ga atom. The Ga–Ga bond length is 2.85 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Ga2Co15 by Materials Project

Ce2Co15Ga2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to fifteen Co and one Ga atom. There are a spread of Ce–Co bond distances ranging from 2.91–3.19 Å. The Ce–Ga bond length is 3.04 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to eight Co and two equivalent Ga atoms to form distorted CoGa2Co8 cuboctahedra that share corners with fourteen CoGa2Co8 cuboctahedra, edges with six CoGa2Co8 cuboctahedra, and faces with four equivalent CoCe3GaCo8 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.44 Å) Co–Co bond lengths. Both Co–Ga bond lengths are 2.54 Å. In the second Co site, Co is bonded in a distorted q6 geometry to two equivalent Ce, eight Co, and two equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.43–2.59 Å. Both Co–Ga bond lengths are 2.76 Å. In the third Co site, Co is bonded to three equivalent Ce, eight Co, and one Ga atom to form a mixture of edge, face, and corner-sharing CoCe3GaCo8 cuboctahedra. Both Co–Co bond lengths are 2.47 Å. The Co–Ga bond length is 2.61 Å. Ga is bonded in a 7-coordinate geometry to one Ce, twelve Co, and one Ga atom. The Ga–Ga bond length is 2.60 Å.

36 MATERIALS SCIENCE↗