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DOE OSTI · 1325569

Materials Data on BeSnAs2 by Materials Project

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Abstract

BeSnAs2 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 SnAs4 tetrahedra. All Be–As bond lengths are 2.29 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 BeAs4 tetrahedra. All Sn–As bond lengths are 2.65 Å. As3- is bonded to two equivalent Be2+ and two equivalent Sn4+ atoms to form distorted corner-sharing AsBe2Sn2 tetrahedra.

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2020-07-23. Materials Data on BeSnAs2 by Materials Project. https://doi.org/10.17188/1325569

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