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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce2(Zn2Ge)3 by Materials Project

Ce2(Zn2Ge)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to nine Zn and six equivalent Ge atoms. There are three shorter (3.25 Å) and six longer (3.45 Å) Ce–Zn bond lengths. All Ce–Ge bond lengths are 3.13 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to four equivalent Ce, four equivalent Zn, and three equivalent Ge atoms. All Zn–Zn bond lengths are 2.80 Å. There are one shorter (2.53 Å) and two longer (2.67 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded in a distorted water-like geometry to two equivalent Ce, six Zn, and two equivalent Ge atoms. Both Zn–Zn bond lengths are 2.53 Å. Both Zn–Ge bond lengths are 2.55 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ce and five Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2(ZnGe2)3 by Materials Project

Ce2(ZnGe2)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to six Zn and eight Ge atoms. There are two shorter (3.27 Å) and four longer (3.30 Å) Ce–Zn bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.11–3.23 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to six Zn and eight Ge atoms. There are two shorter (3.28 Å) and four longer (3.39 Å) Ce–Zn bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.11–3.22 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four Ce and four Ge atoms to form a mixture of distorted edge and face-sharing ZnCe4Ge4 tetrahedra. There are two shorter (2.61 Å) and two longer (2.69 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded in a 5-coordinate geometry to four Ce and five Ge atoms. There are one shorter (2.51 Å) and four longer (2.59 Å) Zn–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to two Ce, one Zn, and three equivalent Ge atoms. There are one shorter (2.51 Å) and two longer (2.59 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four Ce and five Zn atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Ce and four equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeZnGe by Materials Project

CeZnGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of distorted face and edge-sharing CeZn6Ge6 cuboctahedra. All Ce–Zn bond lengths are 3.08 Å. All Ce–Ge bond lengths are 3.31 Å. In the second Ce site, Ce is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of distorted face and edge-sharing CeZn6Ge6 cuboctahedra. All Ce–Zn bond lengths are 3.39 Å. All Ce–Ge bond lengths are 3.15 Å. Zn is bonded in a 3-coordinate geometry to six Ce and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.50 Å. Ge is bonded in a 3-coordinate geometry to six Ce and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗