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DOE OSTI · 1705185

Materials Data on Pr3Ni by Materials Project

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Abstract

Pr3Ni is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pr3Ni sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted L-shaped geometry to two equivalent Ni atoms. There are one shorter (2.83 Å) and one longer (2.95 Å) Pr–Ni bond lengths. In the second Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two equivalent Ni atoms. There are one shorter (2.85 Å) and one longer (2.97 Å) Pr–Ni bond lengths. Ni is bonded in a 6-coordinate geometry to six Pr atoms.

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36 MATERIALS SCIENCEcrystal structureNi-PrPr3Ni

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2020-05-03. Materials Data on Pr3Ni by Materials Project. https://doi.org/10.17188/1705185

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