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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdGa3Pd by Materials Project

NdPdGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Pd and twelve Ga atoms. All Nd–Pd bond lengths are 3.44 Å. There are eight shorter (3.24 Å) and four longer (3.44 Å) Nd–Ga bond lengths. Pd is bonded to four equivalent Nd and eight Ga atoms to form distorted PdNd4Ga8 cuboctahedra that share corners with four equivalent GaNd4Ga4Pd4 cuboctahedra, corners with twelve equivalent PdNd4Ga8 cuboctahedra, edges with two equivalent GaNd4Ga4Pd4 cuboctahedra, faces with four equivalent PdNd4Ga8 cuboctahedra, and faces with four equivalent GaNd4Ga4Pd4 cuboctahedra. There are four shorter (2.58 Å) and four longer (2.99 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to four equivalent Nd, two equivalent Pd, and three Ga atoms. There are one shorter (2.49 Å) and two longer (2.58 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Nd, four equivalent Pd, and four equivalent Ga atoms to form GaNd4Ga4Pd4 cuboctahedra that share corners with four equivalent PdNd4Ga8 cuboctahedra, corners with twelve equivalent GaNd4Ga4Pd4 cuboctahedra, edges with two equivalent PdNd4Ga8 cuboctahedra, faces with four equivalent PdNd4Ga8 cuboctahedra, and faces with four equivalent GaNd4Ga4Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdGaPd2 by Materials Project

NdPd2Ga crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to ten equivalent Pd and three equivalent Ga atoms. There are a spread of Nd–Pd bond distances ranging from 3.09–3.71 Å. There are a spread of Nd–Ga bond distances ranging from 3.11–3.16 Å. Pd is bonded in a 12-coordinate geometry to five equivalent Nd, four equivalent Pd, and three equivalent Ga atoms. There are a spread of Pd–Pd bond distances ranging from 2.82–3.19 Å. There are a spread of Pd–Ga bond distances ranging from 2.57–2.69 Å. Ga is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2Ga7Pd by Materials Project

Nd2PdGa7 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to two equivalent Pd and fourteen Ga atoms. Both Nd–Pd bond lengths are 3.41 Å. There are a spread of Nd–Ga bond distances ranging from 3.28–3.44 Å. Pd is bonded to four equivalent Nd and eight Ga atoms to form distorted PdNd4Ga8 cuboctahedra that share corners with four equivalent PdNd4Ga8 cuboctahedra, corners with twelve GaNd4Ga8 cuboctahedra, edges with two equivalent GaNd4Ga8 cuboctahedra, faces with four equivalent PdNd4Ga8 cuboctahedra, and faces with four equivalent GaNd4Ga4Pd4 cuboctahedra. There are four shorter (2.57 Å) and four longer (3.05 Å) Pd–Ga bond lengths. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to four equivalent Nd, two equivalent Pd, and three Ga atoms. There are one shorter (2.47 Å) and two longer (2.57 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Nd and five Ga atoms. All Ga–Ga bond lengths are 2.60 Å. In the third Ga site, Ga is bonded to four equivalent Nd and eight Ga atoms to form distorted GaNd4Ga8 cuboctahedra that share corners with eight equivalent PdNd4Ga8 cuboctahedra, corners with eight GaNd4Ga8 cuboctahedra, edges with two equivalent GaNd4Ga4Pd4 cuboctahedra, and faces with eight GaNd4Ga8 cuboctahedra. All Ga–Ga bond lengths are 3.05 Å. In the fourth Ga site, Ga is bonded to four equivalent Nd, four equivalent Pd, and four equivalent Ga atoms to form GaNd4Ga4Pd4 cuboctahedra that share corners with sixteen GaNd4Ga8 cuboctahedra, edges with two equivalent GaNd4Ga8 cuboctahedra, faces with four equivalent PdNd4Ga8 cuboctahedra, and faces with four equivalent GaNd4Ga4Pd4 cuboctahedra. In the fifth Ga site, Ga is bonded to four equivalent Nd and eight Ga atoms to form distorted GaNd4Ga8 cuboctahedra that share corners with four equivalent PdNd4Ga8 cuboctahedra, corners with twelve GaNd4Ga8 cuboctahedra, edges with two equivalent PdNd4Ga8 cuboctahedra, and faces with eight GaNd4Ga8 cuboctahedra.

36 MATERIALS SCIENCE↗