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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on BPd6 by Materials Project

Pd6B is gamma plutonium structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four Pd6B clusters. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a single-bond geometry to one B atom. The Pd–B bond length is 2.08 Å. In the second Pd site, Pd is bonded in a single-bond geometry to one B atom. The Pd–B bond length is 2.08 Å. In the third Pd site, Pd is bonded in a single-bond geometry to one B atom. The Pd–B bond length is 2.07 Å. B is bonded in an octahedral geometry to six Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YB2Pd7 by Materials Project

YPd7B2 crystallizes in the cubic Fm-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 PdPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Y–Pd bond lengths are 3.00 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to two equivalent Y, two equivalent Pd, and two equivalent B atoms. Both Pd–Pd bond lengths are 3.00 Å. Both Pd–B bond lengths are 2.12 Å. In the second Pd site, Pd is bonded to twelve equivalent Pd atoms to form PdPd12 cuboctahedra that share corners with twelve equivalent PdPd12 cuboctahedra, faces with six equivalent YPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra, faces with four equivalent YPd12 cuboctahedra, and faces with four equivalent PdPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2BPd3 by Materials Project

Li2Pd3B crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Li is bonded to three equivalent Li and nine equivalent Pd atoms to form distorted LiLi3Pd9 cuboctahedra that share corners with fifteen equivalent LiLi3Pd9 cuboctahedra, edges with three equivalent BPd6 octahedra, faces with ten equivalent LiLi3Pd9 cuboctahedra, and faces with four equivalent BPd6 octahedra. All Li–Li bond lengths are 2.60 Å. There are a spread of Li–Pd bond distances ranging from 2.76–2.88 Å. Pd is bonded in a 8-coordinate geometry to six equivalent Li and two equivalent B atoms. Both Pd–B bond lengths are 2.16 Å. B is bonded to six equivalent Pd atoms to form distorted BPd6 octahedra that share corners with six equivalent BPd6 octahedra, edges with six equivalent LiLi3Pd9 cuboctahedra, and faces with eight equivalent LiLi3Pd9 cuboctahedra. The corner-sharing octahedral tilt angles are 28°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyBPd3 by Materials Project

DyPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Pd atoms to form DyPd12 cuboctahedra that share corners with twelve equivalent DyPd12 cuboctahedra, faces with six equivalent DyPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Dy–Pd bond lengths are 3.05 Å. Pd is bonded to four equivalent Dy and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdDy4B2 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 DyPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErBPd3 by Materials Project

ErPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Pd atoms to form ErPd12 cuboctahedra that share corners with twelve equivalent ErPd12 cuboctahedra, faces with six equivalent ErPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Er–Pd bond lengths are 3.04 Å. Pd is bonded to four equivalent Er and two equivalent B atoms to form a mixture of distorted edge, corner, and face-sharing PdEr4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.15 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 ErPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdBPd3 by Materials Project

NdPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Pd atoms to form NdPd12 cuboctahedra that share corners with twelve equivalent NdPd12 cuboctahedra, faces with six equivalent NdPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Nd–Pd bond lengths are 3.10 Å. Pd is bonded to four equivalent Nd and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing PdNd4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.19 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 NdPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmBPd3 by Materials Project

TmPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Pd atoms to form TmPd12 cuboctahedra that share corners with twelve equivalent TmPd12 cuboctahedra, faces with six equivalent TmPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Tm–Pd bond lengths are 3.04 Å. Pd is bonded to four equivalent Tm and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdTm4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.15 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 TmPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbBPd3 by Materials Project

YbPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Pd atoms to form YbPd12 cuboctahedra that share corners with twelve equivalent YbPd12 cuboctahedra, faces with six equivalent YbPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Yb–Pd bond lengths are 3.03 Å. Pd is bonded to four equivalent Yb and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdYb4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.14 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 YbPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeBPd3 by Materials Project

CePd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Pd atoms to form CePd12 cuboctahedra that share corners with twelve equivalent CePd12 cuboctahedra, faces with six equivalent CePd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Ce–Pd bond lengths are 3.10 Å. Pd is bonded to four equivalent Ce and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdCe4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.19 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 CePd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuBPd3 by Materials Project

EuPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Eu is bonded to twelve equivalent Pd atoms to form EuPd12 cuboctahedra that share corners with twelve equivalent EuPd12 cuboctahedra, faces with six equivalent EuPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Eu–Pd bond lengths are 3.09 Å. Pd is bonded to four equivalent Eu and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing PdEu4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.19 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 EuPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdBPd3 by Materials Project

GdPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded to twelve equivalent Pd atoms to form GdPd12 cuboctahedra that share corners with twelve equivalent GdPd12 cuboctahedra, faces with six equivalent GdPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Gd–Pd bond lengths are 3.04 Å. Pd is bonded to four equivalent Gd and two equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing PdGd4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.15 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 GdPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrBPd3 by Materials Project

PrPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Pd atoms to form PrPd12 cuboctahedra that share corners with twelve equivalent PrPd12 cuboctahedra, faces with six equivalent PrPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Pr–Pd bond lengths are 3.11 Å. Pd is bonded to four equivalent Pr and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdPr4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.20 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 PrPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbBPd3 by Materials Project

TbPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Pd atoms to form TbPd12 cuboctahedra that share corners with twelve equivalent TbPd12 cuboctahedra, faces with six equivalent TbPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Tb–Pd bond lengths are 3.06 Å. Pd is bonded to four equivalent Tb and two equivalent B atoms to form a mixture of distorted edge, corner, and face-sharing PdTb4B2 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 TbPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuBPd3 by Materials Project

LuPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Pd atoms to form LuPd12 cuboctahedra that share corners with twelve equivalent LuPd12 cuboctahedra, faces with six equivalent LuPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Lu–Pd bond lengths are 3.03 Å. Pd is bonded to four equivalent Lu and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdLu4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.14 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 LuPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmBPd3 by Materials Project

SmPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Pd atoms to form SmPd12 cuboctahedra that share corners with twelve equivalent SmPd12 cuboctahedra, faces with six equivalent SmPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Sm–Pd bond lengths are 3.08 Å. Pd is bonded to four equivalent Sm and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing PdSm4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.18 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 SmPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoBPd3 by Materials Project

HoPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Pd atoms to form HoPd12 cuboctahedra that share corners with twelve equivalent HoPd12 cuboctahedra, faces with six equivalent HoPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Ho–Pd bond lengths are 3.05 Å. Pd is bonded to four equivalent Ho and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdHo4B2 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 HoPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaBPd3 by Materials Project

LaPd3B 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 BPd6 octahedra. All La–Pd bond lengths are 3.12 Å. Pd is bonded to four equivalent La and two equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing PdLa4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.21 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 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↗