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DOE OSTI · 1747759

Materials Data on MnSiAs2 by Materials Project

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Abstract

MnSiAs2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent As3- atoms to form MnAs4 tetrahedra that share corners with four equivalent MnAs4 tetrahedra and corners with eight equivalent SiAs4 tetrahedra. All Mn–As bond lengths are 2.55 Å. Si4+ is bonded to four equivalent As3- atoms to form SiAs4 tetrahedra that share corners with four equivalent SiAs4 tetrahedra and corners with eight equivalent MnAs4 tetrahedra. All Si–As bond lengths are 2.40 Å. As3- is bonded to two equivalent Mn2+ and two equivalent Si4+ atoms to form corner-sharing AsMn2Si2 tetrahedra.

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36 MATERIALS SCIENCEAs-Mn-Sicrystal structureMnSiAs2

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2020-05-02. Materials Data on MnSiAs2 by Materials Project. https://doi.org/10.17188/1747759

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