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DOE OSTI · 1188303

Materials Data on MgSn(BO3)2 by Materials Project

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Abstract

MgSn(BO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mg–O bond lengths are 2.14 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Sn–O bond lengths are 2.10 Å. O2- is bonded in a distorted trigonal planar geometry to one Mg2+, one B3+, and one Sn4+ atom.

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36 MATERIALS SCIENCEB-Mg-O-Sncrystal structureMgSn(BO3)2

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2020-07-16. Materials Data on MgSn(BO3)2 by Materials Project. https://doi.org/10.17188/1188303

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