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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr4MgCo by Materials Project

MgPr4Co crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Pr atoms to form a mixture of corner and face-sharing MgPr9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.16 Å. There are a spread of Mg–Pr bond distances ranging from 3.45–3.67 Å. There are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Pr, and three equivalent Co atoms. All Pr–Pr bond lengths are 3.62 Å. All Pr–Co bond lengths are 2.92 Å. In the second Pr site, Pr is bonded in a 4-coordinate geometry to two equivalent Mg, ten Pr, and two equivalent Co atoms. There are four shorter (3.76 Å) and four longer (3.79 Å) Pr–Pr bond lengths. Both Pr–Co bond lengths are 3.62 Å. In the third Pr site, Pr is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Pr, and two equivalent Co atoms. Both Pr–Co bond lengths are 2.91 Å. Co is bonded in a 6-coordinate geometry to nine Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on Pr4Mg3Co2 by Materials Project

Mg3Pr4Co2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to one Mg, eight Pr, and one Co atom. The Mg–Mg bond length is 3.16 Å. There are a spread of Mg–Pr bond distances ranging from 3.38–3.58 Å. The Mg–Co bond length is 3.17 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to eight Pr and two equivalent Co atoms. There are four shorter (3.27 Å) and four longer (3.49 Å) Mg–Pr bond lengths. Both Mg–Co bond lengths are 3.12 Å. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted L-shaped geometry to six Mg and two equivalent Co atoms. Both Pr–Co bond lengths are 2.78 Å. In the second Pr site, Pr is bonded in a 4-coordinate geometry to six Mg and four equivalent Co atoms. There are two shorter (2.95 Å) and two longer (3.00 Å) Pr–Co bond lengths. Co is bonded in a 9-coordinate geometry to two Mg, six Pr, and one Co atom. The Co–Co bond length is 2.33 Å.

36 MATERIALS SCIENCE↗