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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce2NiGe3 by Materials Project

Ce2NiGe3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded to three equivalent Ni and nine Ge atoms to form a mixture of edge and face-sharing CeNi3Ge9 cuboctahedra. All Ce–Ni bond lengths are 3.08 Å. There are three shorter (3.08 Å) and six longer (3.22 Å) Ce–Ge bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.45 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.45 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ni atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2NiGe3 by Materials Project

Ce2NiGe3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to twelve equivalent Ge atoms to form CeGe12 cuboctahedra that share edges with twelve equivalent CeNi4Ge8 cuboctahedra and faces with eight CeGe12 cuboctahedra. All Ce–Ge bond lengths are 3.24 Å. In the second Ce site, Ce is bonded to four equivalent Ni and eight equivalent Ge atoms to form a mixture of edge and face-sharing CeNi4Ge8 cuboctahedra. All Ce–Ni bond lengths are 3.17 Å. There are four shorter (3.13 Å) and four longer (3.16 Å) Ce–Ge bond lengths. Ni is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.31 Å. Ge is bonded in a 1-coordinate geometry to six Ce, one Ni, and two equivalent Ge atoms. There are one shorter (2.48 Å) and one longer (2.49 Å) Ge–Ge bond lengths.

36 MATERIALS SCIENCE↗