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DOE OSTI · 1199579

Materials Data on KSn2Br5 by Materials Project

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Abstract

KSn2Br5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are eight shorter (3.62 Å) and two longer (3.76 Å) K–Br bond lengths. Sn2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are two shorter (2.78 Å) and two longer (3.12 Å) Sn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to two equivalent K1+ and four equivalent Sn2+ atoms to form corner-sharing BrK2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 0–33°. In the second Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and one Sn2+ atom.

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36 MATERIALS SCIENCEBr-K-Sncrystal structureKSn2Br5

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2020-07-15. Materials Data on KSn2Br5 by Materials Project. https://doi.org/10.17188/1199579

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