Materials Data on Rb(BH)5 by Materials Project
Rb2(BH)9BH crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four boranediylradical molecules and one Rb2(BH)9 sheet oriented in the (-1, 0, 2) direction. In the Rb2(BH)9 sheet, there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 6-coordinate geometry to six H atoms. There are a spread of Rb–H bond distances ranging from 2.52–3.12 Å. In the second Rb site, Rb is bonded in a distorted pentagonal pyramidal geometry to six H atoms. There are a spread of Rb–H bond distances ranging from 2.71–3.11 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 1.20 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 1.20 Å. There are nine inequivalent H sites. In the first H site, H is bonded in a distorted single-bond geometry to one Rb and one B atom. In the second H site, H is bonded in a distorted single-bond geometry to one Rb and one B atom. In the third H site, H is bonded in a distorted single-bond geometry to two Rb and one B atom. In the fourth H site, H is bonded in a distorted single-bond geometry to two Rb and one B atom. In the fifth H site, H is bonded in a distorted single-bond geometry to two equivalent Rb and one B atom. In the sixth H site, H is bonded in a distorted bent 120 degrees geometry to one Rb and one B atom. In the seventh H site, H is bonded in a distorted bent 150 degrees geometry to one Rb and one B atom. In the eighth H site, H is bonded in a distorted bent 120 degrees geometry to one Rb and one B atom. In the ninth H site, H is bonded in a distorted single-bond geometry to one Rb 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:
- 1307085
- Report Number(s):
- mp-780534
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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