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DOE OSTI · 1325572

Materials Data on BeSiAs2 by Materials Project

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Abstract

SiAsBeAs is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Be2+ is bonded to four equivalent As3- atoms to form BeAs4 tetrahedra that share corners with four equivalent BeAs4 tetrahedra and corners with eight equivalent SiAs4 tetrahedra. All Be–As bond lengths are 2.27 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 BeAs4 tetrahedra. All Si–As bond lengths are 2.39 Å. As3- is bonded to two equivalent Be2+ and two equivalent Si4+ atoms to form corner-sharing AsBe2Si2 tetrahedra.

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36 MATERIALS SCIENCEAs-Be-SiBeSiAs2crystal structure

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2020-05-02. Materials Data on BeSiAs2 by Materials Project. https://doi.org/10.17188/1325572

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