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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdCuSn by Materials Project

NdCuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are three shorter (3.05 Å) and three longer (3.55 Å) Nd–Cu bond lengths. There are three shorter (3.20 Å) and three longer (3.36 Å) Nd–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Nd and four equivalent Sn atoms. There are three shorter (2.73 Å) and one longer (3.25 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Nd and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCu9Sn4 by Materials Project

NdCu9Sn4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to sixteen Cu and eight equivalent Sn atoms. There are eight shorter (3.59 Å) and eight longer (3.63 Å) Nd–Cu bond lengths. All Nd–Sn bond lengths are 3.50 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Nd, six Cu, and four equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.52–3.00 Å. There are two shorter (2.75 Å) and two longer (2.80 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Nd, six Cu, and four equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.54–2.67 Å. There are a spread of Cu–Sn bond distances ranging from 2.58–2.69 Å. In the third Cu site, Cu is bonded in a cuboctahedral geometry to eight Cu and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.76 Å. Sn is bonded in a 11-coordinate geometry to two equivalent Nd and nine Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3(CuSn)4 by Materials Project

Nd3Cu4Sn4 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 to six Sn atoms to form distorted edge-sharing NdSn6 octahedra. There are four shorter (3.11 Å) and two longer (3.26 Å) Nd–Sn bond lengths. In the second Nd site, Nd is bonded in a 12-coordinate geometry to six equivalent Cu and six Sn atoms. There are four shorter (3.23 Å) and two longer (3.27 Å) Nd–Cu bond lengths. There are two shorter (3.23 Å) and four longer (3.36 Å) Nd–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Nd, one Cu, and four Sn atoms. The Cu–Cu bond length is 2.58 Å. There are a spread of Cu–Sn bond distances ranging from 2.66–2.83 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Nd, two equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.82 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to three Nd and six equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCuSn by Materials Project

NdCuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to six equivalent Cu and six equivalent Sn atoms to form a mixture of edge and face-sharing NdCu6Sn6 cuboctahedra. All Nd–Cu bond lengths are 3.29 Å. All Nd–Sn bond lengths are 3.29 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Sn atoms. All Cu–Sn bond lengths are 2.64 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗