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DOE OSTI · 1759746

Materials Data on Mn3V2Ga2Co by Materials Project

Abstract

V2Mn3CoGa2 is Tungsten-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a distorted body-centered cubic geometry to seven Mn and one Co atom. There are a spread of V–Mn bond distances ranging from 2.48–2.51 Å. The V–Co bond length is 2.52 Å. In the second V site, V is bonded in a distorted body-centered cubic geometry to five Mn and three equivalent Co atoms. There are a spread of V–Mn bond distances ranging from 2.49–2.54 Å. All V–Co bond lengths are 2.51 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a body-centered cubic geometry to four V and four Ga atoms. There are three shorter (2.51 Å) and one longer (2.52 Å) Mn–Ga bond lengths. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to four V and four Ga atoms. All Mn–Ga bond lengths are 2.51 Å. In the third Mn site, Mn is bonded in a distorted body-centered cubic geometry to four V and four Ga atoms. All Mn–Ga bond lengths are 2.50 Å. Co is bonded in a distorted body-centered cubic geometry to four V and four Ga atoms. There are one shorter (2.49 Å) and three longer (2.50 Å) Co–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to five Mn and three equivalent Co atoms. In the second Ga site, Ga is bonded in a distorted body-centered cubic geometry to seven Mn and one Co atom.

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2020-09-03. Materials Data on Mn3V2Ga2Co by Materials Project. https://doi.org/10.17188/1759746

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36 MATERIALS SCIENCE↗