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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nd2(Zn2Ge)3 by Materials Project

Nd2(Zn2Ge)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to nine Zn and six equivalent Ge atoms. There are three shorter (3.26 Å) and six longer (3.44 Å) Nd–Zn bond lengths. All Nd–Ge bond lengths are 3.15 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to four equivalent Nd and three equivalent Ge atoms. There are one shorter (2.53 Å) and two longer (2.65 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Nd and two equivalent Ge atoms. Both Zn–Ge bond lengths are 2.54 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Nd and five Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2(ZnGe2)3 by Materials Project

Nd2(ZnGe2)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to six Zn and eight Ge atoms. There are two shorter (3.27 Å) and four longer (3.42 Å) Nd–Zn bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.12–3.20 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to six Zn and eight Ge atoms. There are two shorter (3.27 Å) and four longer (3.35 Å) Nd–Zn bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.12–3.21 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 5-coordinate geometry to four Nd and five Ge atoms. There are one shorter (2.52 Å) and four longer (2.60 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded to four Nd and four Ge atoms to form a mixture of distorted edge and face-sharing ZnNd4Ge4 tetrahedra. There are two shorter (2.61 Å) and two longer (2.68 Å) Zn–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four Nd and five Zn atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two Nd, one Zn, and three equivalent Ge atoms. There are one shorter (2.50 Å) and two longer (2.57 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Nd and four equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2Zn15Ge2 by Materials Project

Nd2Zn15Ge2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to eighteen Zn and one Ge atom. There are a spread of Nd–Zn bond distances ranging from 3.22–3.46 Å. The Nd–Ge bond length is 3.04 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Nd, eight Zn, and two equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing ZnNd2Zn8Ge2 cuboctahedra. There are four shorter (2.60 Å) and four longer (2.75 Å) Zn–Zn bond lengths. Both Zn–Ge bond lengths are 2.83 Å. In the second Zn site, Zn is bonded to two equivalent Nd, eight Zn, and two equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing ZnNd2Zn8Ge2 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.70–2.88 Å. Both Zn–Ge bond lengths are 3.15 Å. In the third Zn site, Zn is bonded to three equivalent Nd, eight Zn, and one Ge atom to form a mixture of distorted face, edge, and corner-sharing ZnNd3Zn8Ge cuboctahedra. Both Zn–Zn bond lengths are 2.58 Å. The Zn–Ge bond length is 2.99 Å. Ge is bonded in a 8-coordinate geometry to one Nd, twelve Zn, and one Ge atom. The Ge–Ge bond length is 2.57 Å.

36 MATERIALS SCIENCE↗