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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce2(SbPd3)3 by Materials Project

Ce2(Pd3Sb)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 9-coordinate geometry to eleven Pd and six Sb atoms. There are a spread of Ce–Pd bond distances ranging from 3.06–3.62 Å. There are a spread of Ce–Sb bond distances ranging from 3.48–3.61 Å. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 5-coordinate geometry to two equivalent Ce, eight Pd, and three Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.83–3.21 Å. There are one shorter (2.70 Å) and two longer (2.85 Å) Pd–Sb bond lengths. In the second Pd site, Pd is bonded in a 12-coordinate geometry to two equivalent Ce, seven Pd, and two equivalent Sb atoms. There are one shorter (2.89 Å) and two longer (2.97 Å) Pd–Pd bond lengths. Both Pd–Sb bond lengths are 2.62 Å. In the third Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Ce, six Pd, and three Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.84–3.26 Å. There are a spread of Pd–Sb bond distances ranging from 2.66–2.90 Å. In the fourth Pd site, Pd is bonded in a 12-coordinate geometry to two equivalent Ce, eight Pd, and two equivalent Sb atoms. Both Pd–Sb bond lengths are 2.64 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to four equivalent Ce and eight Pd atoms to form distorted face-sharing SbCe4Pd8 cuboctahedra. In the second Sb site, Sb is bonded in a 12-coordinate geometry to four equivalent Ce and 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↗
DOE OSTI2020

Materials Data on SbPd3 by Materials Project

Pd3Sb is Uranium Silicide structured and crystallizes in the cubic Pm-3m 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 twelve equivalent PdSb4Pd8 cuboctahedra, edges with eight equivalent SbPd12 cuboctahedra, edges with sixteen equivalent PdSb4Pd8 cuboctahedra, faces with four equivalent SbPd12 cuboctahedra, and faces with fourteen equivalent PdSb4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.87 Å. All Pd–Sb bond lengths are 2.87 Å. Sb is bonded to twelve equivalent Pd atoms to form SbPd12 cuboctahedra that share corners with twelve equivalent SbPd12 cuboctahedra, edges with twenty-four equivalent PdSb4Pd8 cuboctahedra, faces with six equivalent SbPd12 cuboctahedra, and faces with twelve equivalent PdSb4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗