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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr2AlCo2 by Materials Project

Pr2Co2Al crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Co atoms. There are four shorter (2.98 Å) and two longer (3.10 Å) Pr–Co bond lengths. Co is bonded in a 2-coordinate geometry to six equivalent Pr, one Co, and two equivalent Al atoms. The Co–Co bond length is 2.59 Å. Both Co–Al bond lengths are 2.52 Å. Al is bonded in a 12-coordinate geometry to four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2AlCo2 by Materials Project

Pr2Co2Al crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Co atoms. There are a spread of Pr–Co bond distances ranging from 2.95–3.05 Å. Co is bonded in a 9-coordinate geometry to six equivalent Pr, one Co, and two equivalent Al atoms. The Co–Co bond length is 2.42 Å. There are one shorter (2.57 Å) and one longer (2.58 Å) Co–Al bond lengths. Al is bonded in a 12-coordinate geometry to four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAl4Co by Materials Project

PrCoAl4 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to one Co and twelve Al atoms. The Pr–Co bond length is 2.99 Å. There are a spread of Pr–Al bond distances ranging from 3.11–3.28 Å. Co is bonded in a 9-coordinate geometry to one Pr and eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.30–2.57 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent Pr, two equivalent Co, and eight Al atoms. There are four shorter (2.80 Å) and four longer (2.94 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent Pr, two equivalent Co, and eight Al atoms. There are two shorter (2.72 Å) and two longer (3.04 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Pr, two equivalent Co, and six Al atoms. There are one shorter (2.75 Å) and one longer (2.98 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Al2Co15 by Materials Project

Pr2Co15Al2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 3-coordinate geometry to eighteen Co and one Al atom. There are a spread of Pr–Co bond distances ranging from 2.96–3.34 Å. The Pr–Al bond length is 3.06 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two equivalent Pr, eight Co, and two equivalent Al atoms. There are four shorter (2.41 Å) and four longer (2.42 Å) Co–Co bond lengths. Both Co–Al bond lengths are 2.55 Å. In the second Co site, Co is bonded in a distorted q6 geometry to two equivalent Pr, eight Co, and two equivalent Al atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.61 Å. Both Co–Al bond lengths are 2.71 Å. In the third Co site, Co is bonded to three equivalent Pr, eight Co, and one Al atom to form a mixture of distorted edge, corner, and face-sharing CoPr3AlCo8 cuboctahedra. Both Co–Co bond lengths are 2.49 Å. The Co–Al bond length is 2.58 Å. Al is bonded in a 6-coordinate geometry to one Pr, twelve Co, and one Al atom. The Al–Al bond length is 2.60 Å.

36 MATERIALS SCIENCE↗