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DOE OSTI · 1753616

Materials Data on TiMnAs by Materials Project

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Abstract

TiMnAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded to four As atoms to form a mixture of distorted corner and edge-sharing TiAs4 tetrahedra. There are two shorter (2.52 Å) and two longer (2.54 Å) Ti–As bond lengths. Mn is bonded in a 5-coordinate geometry to five As atoms. There are one shorter (2.65 Å) and four longer (2.75 Å) Mn–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Mn atoms. In the second As site, As is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Mn atoms.

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36 MATERIALS SCIENCEAs-Mn-Ticrystal structureTiMnAs

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2020-05-03. Materials Data on TiMnAs by Materials Project. https://doi.org/10.17188/1753616

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