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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce6P17Pd6 by Materials Project

Ce6Pd6P17 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ce+3.17+ is bonded in a 7-coordinate geometry to seven P+2.06- atoms. There are a spread of Ce–P bond distances ranging from 2.92–3.17 Å. Pd+2.67+ is bonded in a square co-planar geometry to four equivalent P+2.06- atoms. All Pd–P bond lengths are 2.36 Å. There are three inequivalent P+2.06- sites. In the first P+2.06- site, P+2.06- is bonded in a 5-coordinate geometry to two equivalent Ce+3.17+, two equivalent Pd+2.67+, and one P+2.06- atom. The P–P bond length is 2.22 Å. In the second P+2.06- site, P+2.06- is bonded to three equivalent Ce+3.17+ and three equivalent P+2.06- atoms to form distorted PCe3P3 pentagonal pyramids that share corners with three equivalent PCe3P3 pentagonal pyramids and a faceface with one PCe6 octahedra. In the third P+2.06- site, P+2.06- is bonded to six equivalent Ce+3.17+ atoms to form face-sharing PCe6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CePPd by Materials Project

CePdP 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 P atoms to form a mixture of edge and face-sharing CeP6Pd6 cuboctahedra. All Ce–Pd bond lengths are 3.13 Å. All Ce–P bond lengths are 3.13 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent P atoms. All Pd–P bond lengths are 2.43 Å. P is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(PPd)2 by Materials Project

CePd2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent P atoms. All Ce–Pd bond lengths are 3.26 Å. All Ce–P bond lengths are 3.12 Å. Pd is bonded to four equivalent Ce, four equivalent Pd, and four equivalent P atoms to form a mixture of distorted face, edge, and corner-sharing PdCe4P4Pd4 cuboctahedra. All Pd–Pd bond lengths are 2.92 Å. All Pd–P bond lengths are 2.49 Å. P is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Pd, and one P atom. The P–P bond length is 2.24 Å.

36 MATERIALS SCIENCE↗