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At least 1,729 records · Page 96
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DOE OSTI2020

Materials Data on YBiPd by Materials Project

YPdBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y is bonded to four equivalent Pd and six equivalent Bi atoms to form a mixture of distorted face and corner-sharing YBi6Pd4 tetrahedra. All Y–Pd bond lengths are 2.92 Å. All Y–Bi bond lengths are 3.37 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.92 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdBiPd by Materials Project

NdPdBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nd is bonded to four equivalent Pd and six equivalent Bi atoms to form a mixture of distorted face and corner-sharing NdBi6Pd4 tetrahedra. All Nd–Pd bond lengths are 2.97 Å. All Nd–Bi bond lengths are 3.43 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.97 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Nd and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoBiPd by Materials Project

HoPdBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ho is bonded to four equivalent Pd and six equivalent Bi atoms to form a mixture of distorted corner and face-sharing HoBi6Pd4 tetrahedra. All Ho–Pd bond lengths are 2.91 Å. All Ho–Bi bond lengths are 3.36 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.91 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyBiPd by Materials Project

DyPdBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded to four equivalent Pd and six equivalent Bi atoms to form a mixture of distorted face and corner-sharing DyBi6Pd4 tetrahedra. All Dy–Pd bond lengths are 2.91 Å. All Dy–Bi bond lengths are 3.36 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.91 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaPd3C by Materials Project

LaPd3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to twelve equivalent Pd atoms to form LaPd12 cuboctahedra that share corners with twelve equivalent LaPd12 cuboctahedra, faces with six equivalent LaPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. All La–Pd bond lengths are 3.10 Å. Pd is bonded to four equivalent La and two equivalent C atoms to form a mixture of distorted edge, corner, and face-sharing PdLa4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–C bond lengths are 2.19 Å. C is bonded to six equivalent Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent LaPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScBPd3 by Materials Project

ScPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Pd atoms to form ScPd12 cuboctahedra that share corners with twelve equivalent ScPd12 cuboctahedra, faces with six equivalent ScPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Sc–Pd bond lengths are 2.99 Å. Pd is bonded to four equivalent Sc and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing PdSc4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.12 Å. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra and faces with eight equivalent ScPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiHPd by Materials Project

LiPdH crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Li is bonded in a linear geometry to eight equivalent Pd and two equivalent H atoms. All Li–Pd bond lengths are 2.79 Å. Both Li–H bond lengths are 1.96 Å. Pd is bonded to eight equivalent Li and four equivalent H atoms to form a mixture of face, edge, and corner-sharing PdLi8H4 cuboctahedra. All Pd–H bond lengths are 1.99 Å. H is bonded in a distorted linear geometry to two equivalent Li and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScPd3C by Materials Project

ScPd3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Pd atoms to form ScPd12 cuboctahedra that share corners with twelve equivalent ScPd12 cuboctahedra, faces with six equivalent ScPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. All Sc–Pd bond lengths are 2.98 Å. Pd is bonded in a distorted linear geometry to four equivalent Sc and two equivalent C atoms. Both Pd–C bond lengths are 2.11 Å. C is bonded to six equivalent Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent ScPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmSbPd by Materials Project

SmPdSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to six equivalent Pd and six equivalent Sb atoms to form a mixture of face and edge-sharing SmSb6Pd6 cuboctahedra. All Sm–Pd bond lengths are 3.30 Å. All Sm–Sb bond lengths are 3.30 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.65 Å. Sb is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSbPd by Materials Project

CePdSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to six equivalent Pd and six equivalent Sb atoms to form a mixture of edge and face-sharing CeSb6Pd6 cuboctahedra. All Ce–Pd bond lengths are 3.32 Å. All Ce–Sb bond lengths are 3.32 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.67 Å. Sb is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSbPd by Materials Project

LaPdSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to six equivalent Pd and six equivalent Sb atoms to form a mixture of face and edge-sharing LaSb6Pd6 cuboctahedra. All La–Pd bond lengths are 3.38 Å. All La–Sb bond lengths are 3.38 Å. Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.69 Å. Sb is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdSbPd by Materials Project

NdPdSb 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 Pd and six equivalent Sb atoms to form a mixture of edge and face-sharing NdSb6Pd6 cuboctahedra. All Nd–Pd bond lengths are 3.34 Å. All Nd–Sb bond lengths are 3.34 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.67 Å. Sb is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YPd3C by Materials Project

YPd3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Pd atoms to form YPd12 cuboctahedra that share corners with twelve equivalent YPd12 cuboctahedra, faces with six equivalent YPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. All Y–Pd bond lengths are 3.04 Å. Pd is bonded to four equivalent Y and two equivalent C atoms to form a mixture of distorted corner, edge, and face-sharing PdY4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–C bond lengths are 2.15 Å. C is bonded to six equivalent Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent YPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSbPd by Materials Project

PrPdSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to six equivalent Pd and six equivalent Sb atoms to form a mixture of edge and face-sharing PrSb6Pd6 cuboctahedra. All Pr–Pd bond lengths are 3.36 Å. All Pr–Sb bond lengths are 3.36 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.67 Å. Sb is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YBPd3 by Materials Project

YPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Pd atoms to form YPd12 cuboctahedra that share corners with twelve equivalent YPd12 cuboctahedra, faces with six equivalent YPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Y–Pd bond lengths are 3.06 Å. Pd is bonded to four equivalent Y and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdY4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.16 Å. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra and faces with eight equivalent YPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbSbPd by Materials Project

TbPdSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to six equivalent Pd and six equivalent Sb atoms to form a mixture of edge and face-sharing TbSb6Pd6 cuboctahedra. All Tb–Pd bond lengths are 3.26 Å. All Tb–Sb bond lengths are 3.26 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.65 Å. Sb is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdCu4Pd by Materials Project

GdPdCu4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to four equivalent Pd and twelve equivalent Cu atoms. All Gd–Pd bond lengths are 3.08 Å. All Gd–Cu bond lengths are 2.95 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Gd and twelve equivalent Cu atoms. All Pd–Cu bond lengths are 2.95 Å. Cu is bonded to three equivalent Gd, three equivalent Pd, and six equivalent Cu atoms to form a mixture of edge, face, and corner-sharing CuGd3Cu6Pd3 cuboctahedra. There are three shorter (2.49 Å) and three longer (2.54 Å) Cu–Cu bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSbPd by Materials Project

LaPdSb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. La is bonded to six equivalent Pd and six equivalent Sb atoms to form a mixture of distorted edge and face-sharing LaSb6Pd6 cuboctahedra. There are three shorter (3.20 Å) and three longer (3.57 Å) La–Pd bond lengths. There are three shorter (3.31 Å) and three longer (3.45 Å) La–Sb bond lengths. Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.72 Å. Sb is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗