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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.
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.
K2(BH)9BH crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four boranediylradical molecules and one K2(BH)9 framework. In the K2(BH)9 framework, there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight H atoms. There are a spread of K–H bond distances ranging from 2.67–3.05 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight H atoms. There are a spread of K–H bond distances ranging from 2.79–3.07 Å. There are nine inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.21 Å. In the second B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.21 Å. In the third B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.21 Å. In the fourth B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.21 Å. In the fifth B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.20 Å. In the sixth B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.20 Å. In the seventh B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.21 Å. In the eighth B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.21 Å. In the ninth B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.21 Å. There are nine inequivalent H sites. In the first H site, H is bonded in a distorted bent 120 degrees geometry to one K and one B atom. In the second H site, H is bonded in a single-bond geometry to two K and one B atom. In the third H site, H is bonded in a distorted single-bond geometry to two equivalent K and one B atom. In the fourth H site, H is bonded in a distorted single-bond geometry to two K and one B atom. In the fifth H site, H is bonded in a single-bond geometry to two equivalent K and one B atom. In the sixth H site, H is bonded in a distorted single-bond geometry to two equivalent K and one B atom. In the seventh H site, H is bonded in a distorted single-bond geometry to two K and one B atom. In the eighth H site, H is bonded in a distorted single-bond geometry to one K and one B atom. In the ninth H site, H is bonded in a single-bond geometry to two K and one B atom.
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.
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.