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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sb2Pd by Materials Project

PdSb2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent Sb1- atoms to form PdSb6 octahedra that share corners with twelve equivalent PdSb6 octahedra and corners with six equivalent SbSbPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Pd–Sb bond lengths are 2.72 Å. Sb1- is bonded to three equivalent Pd2+ and one Sb1- atom to form distorted SbSbPd3 trigonal pyramids that share corners with three equivalent PdSb6 octahedra and corners with fifteen equivalent SbSbPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Sb–Sb bond length is 2.89 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SbPd by Materials Project

PdSb is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent Sb2- atoms to form a mixture of face, edge, and corner-sharing PdSb6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Pd–Sb bond lengths are 2.78 Å. Sb2- is bonded in a 6-coordinate geometry to six equivalent Pd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb7Pd20 by Materials Project

Pd20Sb7 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to six Pd and four equivalent Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.86–3.06 Å. There are a spread of Pd–Sb bond distances ranging from 2.66–3.16 Å. In the second Pd site, Pd is bonded in a 3-coordinate geometry to seven Pd and three equivalent Sb atoms. There are one shorter (2.76 Å) and three longer (2.95 Å) Pd–Pd bond lengths. All Pd–Sb bond lengths are 2.65 Å. In the third Pd site, Pd is bonded in a 3-coordinate geometry to eight Pd and three Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.87–2.92 Å. There are a spread of Pd–Sb bond distances ranging from 2.69–2.95 Å. In the fourth Pd site, Pd is bonded in a 4-coordinate geometry to eight Pd and four Sb atoms. Both Pd–Pd bond lengths are 3.07 Å. There are a spread of Pd–Sb bond distances ranging from 2.68–2.86 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a cuboctahedral geometry to twelve Pd atoms. In the second Sb site, Sb is bonded in a 10-coordinate geometry to ten Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SbPd2 by Materials Project

SbPd2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to four equivalent Sb atoms. All Pd–Sb bond lengths are 2.78 Å. In the second Pd site, Pd is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Pd–Sb bond distances ranging from 2.71–2.87 Å. In the third Pd site, Pd is bonded in a 4-coordinate geometry to four Sb atoms. There are a spread of Pd–Sb bond distances ranging from 2.67–2.72 Å. In the fourth Pd site, Pd is bonded in a 4-coordinate geometry to four Sb atoms. There are a spread of Pd–Sb bond distances ranging from 2.66–2.81 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 9-coordinate geometry to nine Pd atoms. In the second Sb site, Sb is bonded in a 8-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SbPd3 by Materials Project

Pd3Sb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Sb atoms to form PdSb4Pd8 cuboctahedra that share corners with four equivalent SbPd12 cuboctahedra, corners with fourteen equivalent PdSb4Pd8 cuboctahedra, edges with six equivalent SbPd12 cuboctahedra, edges with twelve equivalent PdSb4Pd8 cuboctahedra, faces with four equivalent SbPd12 cuboctahedra, and faces with sixteen equivalent PdSb4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.86–2.88 Å. There are two shorter (2.86 Å) and two longer (2.88 Å) Pd–Sb bond lengths. Sb is bonded to twelve equivalent Pd atoms to form SbPd12 cuboctahedra that share corners with six equivalent SbPd12 cuboctahedra, corners with twelve equivalent PdSb4Pd8 cuboctahedra, edges with eighteen equivalent PdSb4Pd8 cuboctahedra, faces with eight equivalent SbPd12 cuboctahedra, and faces with twelve equivalent PdSb4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗