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DOE OSTI · 1344562

Materials Data on MgGeAs2 by Materials Project

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Abstract

MgGeAs2 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 GeAs4 tetrahedra. All Mg–As bond lengths are 2.64 Å. Ge4+ is bonded to four equivalent As3- atoms to form GeAs4 tetrahedra that share corners with four equivalent GeAs4 tetrahedra and corners with eight equivalent MgAs4 tetrahedra. All Ge–As bond lengths are 2.48 Å. As3- is bonded to two equivalent Mg2+ and two equivalent Ge4+ atoms to form corner-sharing AsMg2Ge2 tetrahedra.

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36 MATERIALS SCIENCEAs-Ge-Mgcrystal structureMgGeAs2

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2020-07-16. Materials Data on MgGeAs2 by Materials Project. https://doi.org/10.17188/1344562

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