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DOE OSTI · 1726692

Materials Data on Y3Ni by Materials Project

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Abstract

Y3Ni is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Y3Ni sheets oriented in the (0, 0, 1) direction. there are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted water-like geometry to two equivalent Ni atoms. There are one shorter (2.78 Å) and one longer (2.84 Å) Y–Ni bond lengths. In the second Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Ni atoms. There are one shorter (2.75 Å) and one longer (2.80 Å) Y–Ni bond lengths. Ni is bonded in a 6-coordinate geometry to six Y atoms.

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36 MATERIALS SCIENCEcrystal structureNi-YY3Ni

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2020-05-03. Materials Data on Y3Ni by Materials Project. https://doi.org/10.17188/1726692

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