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DOE OSTI · 1262029

Materials Data on Pr8Ga3Co by Materials Project

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Abstract

Pr8CoGa3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded in a 4-coordinate geometry to one Co and four equivalent Ga atoms. The Pr–Co bond length is 3.02 Å. There are a spread of Pr–Ga bond distances ranging from 3.08–3.80 Å. In the second Pr site, Pr is bonded in a distorted tetrahedral geometry to one Co and three equivalent Ga atoms. The Pr–Co bond length is 2.69 Å. All Pr–Ga bond lengths are 3.26 Å. In the third Pr site, Pr is bonded in a 3-coordinate geometry to one Co and four equivalent Ga atoms. The Pr–Co bond length is 2.87 Å. There are two shorter (3.28 Å) and two longer (3.91 Å) Pr–Ga bond lengths. In the fourth Pr site, Pr is bonded in a 6-coordinate geometry to six equivalent Ga atoms. There are three shorter (3.47 Å) and three longer (3.51 Å) Pr–Ga bond lengths. Co is bonded in a 7-coordinate geometry to seven Pr atoms. Ga is bonded in a 11-coordinate geometry to eleven Pr atoms.

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36 MATERIALS SCIENCECo-Ga-Prcrystal structurePr8Ga3Co

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2020-07-23. Materials Data on Pr8Ga3Co by Materials Project. https://doi.org/10.17188/1262029

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