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Materials Data on K(BH)3 by Materials Project

K(BH)3 is Parent of FeAs superconductors-derived structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of twenty-four boranediylradical molecules and eight potassium molecules.

36 MATERIALS SCIENCE↗

Materials Data on K(BH)6 by Materials Project

K(BH)6 crystallizes in the cubic Fm-3 space group. The structure is three-dimensional. K is bonded in a distorted q6 geometry to twelve equivalent H atoms. All K–H bond lengths are 2.95 Å. B is bonded in a single-bond geometry to one H atom. The B–H bond length is 1.20 Å. H is bonded in a single-bond geometry to two equivalent K and one B atom.

36 MATERIALS SCIENCE↗

Materials Data on KBH4 by Materials Project

KBH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 11-coordinate geometry to eleven H+0.50+ atoms. There are a spread of K–H bond distances ranging from 2.57–2.76 Å. B3- is bonded in a distorted water-like geometry to two H+0.50+ atoms. There is one shorter (1.28 Å) and one longer (1.29 Å) B–H bond length. There are three inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to two equivalent K1+ and one H+0.50+ atom. The H–H bond length is 0.75 Å. In the second H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to four equivalent K1+ and one B3- atom. In the third H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to three equivalent K1+ and one B3- atom.

36 MATERIALS SCIENCE↗

Materials Data on KBH4 by Materials Project

KBH4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve equivalent H+0.50+ atoms. There are four shorter (2.81 Å) and eight longer (2.82 Å) K–H bond lengths. B3- is bonded in a tetrahedral geometry to four equivalent H+0.50+ atoms. All B–H bond lengths are 1.23 Å. H+0.50+ is bonded in a single-bond geometry to three equivalent K1+ and one B3- atom.

36 MATERIALS SCIENCE↗