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DOE OSTI · 1750132

Materials Data on Pr2AlSi by Materials Project

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Abstract

Pr2AlSi is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 7-coordinate geometry to three equivalent Al and four equivalent Si atoms. There are two shorter (3.27 Å) and one longer (3.35 Å) Pr–Al bond lengths. All Pr–Si bond lengths are 3.16 Å. In the second Pr site, Pr is bonded in a 7-coordinate geometry to four equivalent Al and three equivalent Si atoms. All Pr–Al bond lengths are 3.17 Å. There are one shorter (3.28 Å) and two longer (3.32 Å) Pr–Si bond lengths. Al is bonded in a 2-coordinate geometry to seven Pr and two equivalent Si atoms. Both Al–Si bond lengths are 2.57 Å. Si is bonded in a 9-coordinate geometry to seven Pr and two equivalent Al atoms.

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36 MATERIALS SCIENCEAl-Pr-Sicrystal structurePr2AlSi

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2020-05-02. Materials Data on Pr2AlSi by Materials Project. https://doi.org/10.17188/1750132

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