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DOE OSTI · 1325567

Materials Data on MgSnAs2 by Materials Project

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Abstract

MgSnAs2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent As3- atoms to form MgAs4 tetrahedra that share corners with four equivalent MgAs4 tetrahedra and corners with eight equivalent SnAs4 tetrahedra. All Mg–As bond lengths are 2.65 Å. Sn4+ is bonded to four equivalent As3- atoms to form SnAs4 tetrahedra that share corners with four equivalent SnAs4 tetrahedra and corners with eight equivalent MgAs4 tetrahedra. All Sn–As bond lengths are 2.65 Å. As3- is bonded to two equivalent Mg2+ and two equivalent Sn4+ atoms to form corner-sharing AsMg2Sn2 tetrahedra.

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36 MATERIALS SCIENCEAs-Mg-Sncrystal structureMgSnAs2

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2020-05-03. Materials Data on MgSnAs2 by Materials Project. https://doi.org/10.17188/1325567

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