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Materials Data on PrMg by Materials Project

PrMg is Tetraauricupride structured and crystallizes in the cubic Pm-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 3.39 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on PrMg2 by Materials Project

PrMg2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Pr atoms to form a mixture of edge, face, and corner-sharing MgPr6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.08 Å. All Mg–Pr bond lengths are 3.61 Å. Pr is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Pr atoms. All Pr–Pr bond lengths are 3.77 Å.

36 MATERIALS SCIENCE↗

Materials Data on PrMg12 by Materials Project

PrMg12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Pr atoms to form a mixture of distorted corner, edge, and face-sharing MgPr2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.93–3.16 Å. Both Mg–Pr bond lengths are 3.94 Å. In the second Mg site, Mg is bonded in a distorted q6 geometry to ten Mg and two equivalent Pr atoms. There are a spread of Mg–Mg bond distances ranging from 3.12–3.35 Å. Both Mg–Pr bond lengths are 3.66 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to nine Mg and one Pr atom. The Mg–Mg bond length is 3.06 Å. The Mg–Pr bond length is 3.65 Å. Pr is bonded in a 12-coordinate geometry to twenty Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on PrMg3 by Materials Project

Mg3Pr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Pr atoms. All Mg–Mg bond lengths are 3.22 Å. All Mg–Pr bond lengths are 3.72 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Pr atoms. All Mg–Pr bond lengths are 3.22 Å. Pr is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on Pr2Mg by Materials Project

MgPr2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two MgPr2 sheets oriented in the (1, 0, 0) direction. Mg is bonded in a body-centered cubic geometry to eight Pr atoms. There are a spread of Mg–Pr bond distances ranging from 3.40–3.43 Å. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 4-coordinate geometry to four equivalent Mg atoms. In the second Pr site, Pr is bonded in a 12-coordinate geometry to four equivalent Mg atoms.

36 MATERIALS SCIENCE↗