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DOE OSTI · 1205137

Materials Data on PrMg12 by Materials Project

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Abstract

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.

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36 MATERIALS SCIENCEcrystal structureMg-PrPrMg12

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2020-07-17. Materials Data on PrMg12 by Materials Project. https://doi.org/10.17188/1205137

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