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Materials Data on Pr3MgAl2 by Materials Project

MgPr3Al2 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. All Mg–Pr bond lengths are 3.39 Å. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Pr–Al bond lengths are 3.22 Å. In the second Pr site, Pr is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Pr–Al bond lengths are 3.30 Å. Al is bonded in a body-centered cubic geometry to eight Pr atoms.

36 MATERIALS SCIENCE↗

Materials Data on Pr(Mg4Al3)4 by Materials Project

Pr(Mg4Al3)4 crystallizes in the cubic I-43m 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 three equivalent Mg, one Pr, and six equivalent Al atoms. All Mg–Mg bond lengths are 3.02 Å. The Mg–Pr bond length is 3.33 Å. All Mg–Al bond lengths are 3.22 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are two shorter (3.11 Å) and four longer (3.18 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.85–3.18 Å. Pr is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Pr–Al bond lengths are 3.27 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Pr, and three equivalent Al atoms. There are one shorter (2.76 Å) and two longer (2.80 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on Pr2MgAl by Materials Project

MgPr2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. All Mg–Pr bond lengths are 3.31 Å. Pr is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Pr–Al bond lengths are 3.31 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗