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DOE OSTI · 1274899

Materials Data on Gd3Ti2MnSi3 by Materials Project

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Abstract

Gd3Ti2MnSi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Gd is bonded in a 7-coordinate geometry to four equivalent Ti, two equivalent Mn, and five equivalent Si atoms. All Gd–Ti bond lengths are 3.38 Å. Both Gd–Mn bond lengths are 2.84 Å. There are a spread of Gd–Si bond distances ranging from 2.81–3.03 Å. Ti is bonded in a 6-coordinate geometry to six equivalent Gd, two equivalent Ti, and six equivalent Si atoms. Both Ti–Ti bond lengths are 2.92 Å. All Ti–Si bond lengths are 3.02 Å. Mn is bonded to six equivalent Gd atoms to form distorted face-sharing MnGd6 octahedra. Si is bonded in a 9-coordinate geometry to five equivalent Gd and four equivalent Ti atoms.

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36 MATERIALS SCIENCEcrystal structureGd-Mn-Si-TiGd3Ti2MnSi3

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2020-07-15. Materials Data on Gd3Ti2MnSi3 by Materials Project. https://doi.org/10.17188/1274899

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