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DOE OSTI · 1724951

Materials Data on Pr5Mg by Materials Project

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Abstract

MgPr5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Pr atoms. There are a spread of Mg–Pr bond distances ranging from 3.49–3.70 Å. There are five inequivalent Pr sites. In the first Pr site, Pr is bonded to twelve Pr atoms to form PrPr12 cuboctahedra that share corners with eighteen PrPr12 cuboctahedra, edges with ten PrPr10Mg2 cuboctahedra, and faces with eighteen PrPr12 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.61–3.84 Å. In the second Pr site, Pr is bonded to four equivalent Mg and eight Pr atoms to form a mixture of distorted edge, face, and corner-sharing PrPr8Mg4 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.50–3.75 Å. In the third Pr site, Pr is bonded to two equivalent Mg and ten Pr atoms to form a mixture of edge, face, and corner-sharing PrPr10Mg2 cuboctahedra. There are four shorter (3.58 Å) and two longer (3.75 Å) Pr–Pr bond lengths. In the fourth Pr site, Pr is bonded to two equivalent Mg and ten Pr atoms to form distorted PrPr10Mg2 cuboctahedra that share corners with twelve PrPr10Mg2 cuboctahedra, edges with fifteen PrPr12 cuboctahedra, and faces with eighteen PrPr12 cuboctahedra. There are two shorter (3.75 Å) and two longer (3.80 Å) Pr–Pr bond lengths. In the fifth Pr site, Pr is bonded to two equivalent Mg and ten Pr atoms to form distorted PrPr10Mg2 cuboctahedra that share corners with twelve PrPr10Mg2 cuboctahedra, edges with fifteen PrPr8Mg4 cuboctahedra, and faces with eighteen PrPr12 cuboctahedra. Both Pr–Pr bond lengths are 3.75 Å.

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36 MATERIALS SCIENCEcrystal structureMg-PrPr5Mg

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2020-05-03. Materials Data on Pr5Mg by Materials Project. https://doi.org/10.17188/1724951

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