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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nd(CuGe)2 by Materials Project

NdCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All Nd–Cu bond lengths are 3.31 Å. All Nd–Ge bond lengths are 3.19 Å. Cu is bonded to four equivalent Nd and four equivalent Ge atoms to form a mixture of distorted edge, corner, and face-sharing CuNd4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.46 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3(CuGe)4 by Materials Project

Nd3(CuGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.07 Å) and two longer (3.15 Å) Nd–Cu bond lengths. There are two shorter (3.07 Å) and four longer (3.15 Å) Nd–Ge bond lengths. In the second Nd site, Nd is bonded to eight equivalent Cu and six Ge atoms to form distorted face-sharing NdCu8Ge6 octahedra. All Nd–Cu bond lengths are 3.46 Å. There are four shorter (3.01 Å) and two longer (3.10 Å) Nd–Ge bond lengths. Cu is bonded in a 10-coordinate geometry to five Nd, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.51 Å. There are a spread of Cu–Ge bond distances ranging from 2.53–2.71 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Nd and six equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCuGe by Materials Project

NdCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nd is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing NdCu6Ge6 cuboctahedra. All Nd–Cu bond lengths are 3.18 Å. All Nd–Ge bond lengths are 3.18 Å. Cu is bonded in a 3-coordinate geometry to six equivalent Nd and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.44 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Nd and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCuGe2 by Materials Project

NdCuGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Cu and ten Ge atoms. All Nd–Cu bond lengths are 3.25 Å. There are a spread of Nd–Ge bond distances ranging from 3.23–3.33 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Nd and five Ge atoms. There are one shorter (2.38 Å) and four longer (2.51 Å) Cu–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Nd, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.50 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2CuGe6 by Materials Project

Nd2CuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 10-coordinate geometry to ten Ge atoms. There are eight shorter (3.10 Å) and two longer (3.27 Å) Nd–Ge bond lengths. In the second Nd site, Nd is bonded in a 4-coordinate geometry to four equivalent Cu and ten Ge atoms. All Nd–Cu bond lengths are 3.18 Å. There are a spread of Nd–Ge bond distances ranging from 3.14–3.37 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Nd and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.37–2.44 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Cu, and five Ge atoms. There are one shorter (2.48 Å) and four longer (2.93 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Nd and five Ge atoms. All Ge–Ge bond lengths are 2.93 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six Nd and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to six Nd, one Cu, and two equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Nd and five Ge atoms. The Ge–Ge bond length is 2.50 Å. In the sixth Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Cu, and five Ge atoms.

36 MATERIALS SCIENCE↗