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DOE OSTI · 1690955

Materials Data on MnCrTe2 by Materials Project

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Abstract

CrMnTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Te2- atoms to form CrTe6 octahedra that share corners with twelve equivalent MnTe6 octahedra, edges with six equivalent CrTe6 octahedra, and faces with two equivalent MnTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Cr–Te bond lengths are 2.81 Å. Mn2+ is bonded to six equivalent Te2- atoms to form MnTe6 octahedra that share corners with twelve equivalent CrTe6 octahedra, edges with six equivalent MnTe6 octahedra, and faces with two equivalent CrTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Mn–Te bond lengths are 2.84 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Cr2+ and three equivalent Mn2+ atoms.

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36 MATERIALS SCIENCECr-Mn-Tecrystal structureMnCrTe2

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2020-05-03. Materials Data on MnCrTe2 by Materials Project. https://doi.org/10.17188/1690955

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