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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nd2InPd2 by Materials Project

Nd2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.94 Å) and four longer (3.09 Å) Nd–Pd bond lengths. All Nd–In bond lengths are 3.50 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Nd, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.82 Å. Both Pd–In bond lengths are 3.11 Å. In is bonded to eight equivalent Nd and four equivalent Pd atoms to form a mixture of corner and face-sharing InNd8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdInPd by Materials Project

NdPdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are four shorter (3.10 Å) and one longer (3.22 Å) Nd–Pd bond lengths. There are two shorter (3.30 Å) and four longer (3.45 Å) Nd–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent In atoms. All Pd–In bond lengths are 2.97 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent In atoms. All Pd–In bond lengths are 2.82 Å. In is bonded in a 10-coordinate geometry to six equivalent Nd and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdInPd by Materials Project

NdPdIn crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 4-coordinate geometry to four Pd and six In atoms. There are a spread of Nd–Pd bond distances ranging from 2.96–2.98 Å. There are a spread of Nd–In bond distances ranging from 3.33–3.39 Å. In the second Nd site, Nd is bonded in a 4-coordinate geometry to four Pd and six In atoms. There are one shorter (2.96 Å) and three longer (2.98 Å) Nd–Pd bond lengths. There are a spread of Nd–In bond distances ranging from 3.34–3.40 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to four Pd and six In atoms. There are three shorter (2.97 Å) and one longer (2.98 Å) Nd–Pd bond lengths. There are a spread of Nd–In bond distances ranging from 3.33–3.39 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six Nd and three In atoms. There are a spread of Pd–In bond distances ranging from 3.12–3.15 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three Nd and six In atoms. There are a spread of Pd–In bond distances ranging from 3.13–3.21 Å. In the third Pd site, Pd is bonded in a 3-coordinate geometry to three Nd and six In atoms. There are a spread of Pd–In bond distances ranging from 3.16–3.20 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to six Nd and five Pd atoms. In the second In site, In is bonded in a 11-coordinate geometry to six Nd and five Pd atoms. In the third In site, In is bonded in a 11-coordinate geometry to six Nd and five Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd11In9Pd4 by Materials Project

Nd11Pd4In9 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are five inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to four equivalent Pd and five In atoms. All Nd–Pd bond lengths are 3.10 Å. There are one shorter (3.14 Å) and four longer (3.39 Å) Nd–In bond lengths. In the second Nd site, Nd is bonded in a 8-coordinate geometry to two equivalent Pd and six In atoms. Both Nd–Pd bond lengths are 2.91 Å. There are a spread of Nd–In bond distances ranging from 3.32–3.50 Å. In the third Nd site, Nd is bonded in a 9-coordinate geometry to four equivalent Pd and five In atoms. All Nd–Pd bond lengths are 3.12 Å. There are one shorter (3.15 Å) and four longer (3.39 Å) Nd–In bond lengths. In the fourth Nd site, Nd is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.38 Å) and four longer (3.53 Å) Nd–In bond lengths. In the fifth Nd site, Nd is bonded in a distorted body-centered cubic geometry to eight equivalent In atoms. All Nd–In bond lengths are 3.32 Å. Pd is bonded in a 8-coordinate geometry to six Nd and two In atoms. There are one shorter (3.15 Å) and one longer (3.22 Å) Pd–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Nd, one Pd, and one In atom. The In–In bond length is 3.29 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight Nd, one Pd, and one In atom. The In–In bond length is 3.20 Å. In the third In site, In is bonded in a square co-planar geometry to four Nd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2In8Pd by Materials Project

Nd2PdIn8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Nd is bonded to twelve In atoms to form NdIn12 cuboctahedra that share corners with eight equivalent NdIn12 cuboctahedra, edges with twelve InNd4In8 cuboctahedra, faces with five equivalent NdIn12 cuboctahedra, and faces with eight InNd4In8 cuboctahedra. There are four shorter (3.31 Å) and eight longer (3.35 Å) Nd–In bond lengths. Pd is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Pd–In bond lengths are 2.82 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Nd, two equivalent Pd, and two equivalent In atoms. Both In–In bond lengths are 3.30 Å. In the second In site, In is bonded to four equivalent Nd and eight In atoms to form distorted InNd4In8 cuboctahedra that share corners with eight equivalent InNd4In8 cuboctahedra, edges with four equivalent NdIn12 cuboctahedra, edges with eight equivalent InNd4In8 cuboctahedra, faces with four equivalent NdIn12 cuboctahedra, and faces with nine InNd4In8 cuboctahedra. All In–In bond lengths are 3.36 Å. In the third In site, In is bonded to four equivalent Nd and eight In atoms to form distorted InNd4In8 cuboctahedra that share corners with four equivalent InNd4In8 cuboctahedra, edges with eight equivalent NdIn12 cuboctahedra, edges with eight equivalent InNd4In8 cuboctahedra, faces with four equivalent NdIn12 cuboctahedra, and faces with twelve InNd4In8 cuboctahedra. All In–In bond lengths are 3.35 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdInPd2 by Materials Project

NdPd2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Nd–Pd bond lengths are 3.01 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent In atoms. All Pd–In bond lengths are 3.01 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗