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DOE OSTI · 1717235

Materials Data on TiMnV2 by Materials Project

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Abstract

TiV2Mn crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to four equivalent Ti, two equivalent V, and two equivalent Mn atoms. All Ti–Ti bond lengths are 2.65 Å. Both Ti–V bond lengths are 2.75 Å. Both Ti–Mn bond lengths are 2.49 Å. There are two inequivalent V sites. In the first V site, V is bonded in a 2-coordinate geometry to two equivalent V and two equivalent Mn atoms. Both V–V bond lengths are 2.55 Å. Both V–Mn bond lengths are 2.38 Å. In the second V site, V is bonded in a distorted body-centered cubic geometry to two equivalent Ti and six V atoms. All V–V bond lengths are 2.65 Å. Mn is bonded in a 4-coordinate geometry to two equivalent Ti and two equivalent V atoms.

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36 MATERIALS SCIENCEcrystal structureMn-Ti-VTiMnV2

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2019-01-12. Materials Data on TiMnV2 by Materials Project. https://doi.org/10.17188/1717235

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