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DOE OSTI · 1656069

Materials Data on MnGeTe2 by Materials Project

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Abstract

MnGeTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent Te2- atoms to form MnTe6 octahedra that share corners with six equivalent GeTe6 octahedra, edges with six equivalent MnTe6 octahedra, and edges with six equivalent GeTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Mn–Te bond lengths are 2.69 Å. Ge2+ is bonded to six equivalent Te2- atoms to form GeTe6 octahedra that share corners with six equivalent MnTe6 octahedra, edges with six equivalent MnTe6 octahedra, and edges with six equivalent GeTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Ge–Te bond lengths are 2.98 Å. Te2- is bonded to three equivalent Mn2+ and three equivalent Ge2+ atoms to form a mixture of distorted edge and corner-sharing TeMn3Ge3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureGe-Mn-TeMnGeTe2

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2020-07-21. Materials Data on MnGeTe2 by Materials Project. https://doi.org/10.17188/1656069

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