Materials Data on K(BH)5 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1200003
- Report Number(s):
- mp-24270
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Na(BH)5 by Materials Project
Materials Data on CsNaB10H31N7 by Materials Project