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DOE OSTI · 1697065

Materials Data on Mn(BH4)2 by Materials Project

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Abstract

Mn(BH4)2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two Mn(BH4)2 frameworks. Mn2+ is bonded to eight H+0.50+ atoms to form distorted MnH8 hexagonal bipyramids that share edges with four equivalent BH4 tetrahedra. There are four shorter (2.05 Å) and four longer (2.10 Å) Mn–H bond lengths. B3- is bonded to four H+0.50+ atoms to form BH4 tetrahedra that share edges with two equivalent MnH8 hexagonal bipyramids. All B–H bond lengths are 1.23 Å. There are two inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a distorted L-shaped geometry to one Mn2+ and one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in a distorted L-shaped geometry to one Mn2+ and one B3- atom.

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36 MATERIALS SCIENCEB-H-Mncrystal structureMn(BH4)2

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2020-05-02. Materials Data on Mn(BH4)2 by Materials Project. https://doi.org/10.17188/1697065

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