Materials Data on B by Materials Project
B crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are fourteen inequivalent B sites. In the first B site, B is bonded in a 5-coordinate geometry to five B atoms. There are a spread of B–B bond distances ranging from 1.65–1.86 Å. In the second B site, B is bonded in a 7-coordinate geometry to seven B atoms. There are a spread of B–B bond distances ranging from 1.73–2.14 Å. In the third B site, B is bonded in a 5-coordinate geometry to five B atoms. There is two shorter (1.68 Å) and two longer (1.96 Å) B–B bond length. In the fourth B site, B is bonded in a 6-coordinate geometry to five B atoms. There are a spread of B–B bond distances ranging from 1.72–1.95 Å. In the fifth B site, B is bonded in a 7-coordinate geometry to seven B atoms. There are a spread of B–B bond distances ranging from 1.70–1.89 Å. In the sixth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.80 Å) and two longer (1.87 Å) B–B bond length. In the seventh B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.75–2.03 Å. In the eighth B site, B is bonded in a 7-coordinate geometry to seven B atoms. The B–B bond length is 1.73 Å. In the ninth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is two shorter (1.70 Å) and one longer (1.77 Å) B–B bond length. In the tenth B site, B is bonded in a distorted hexagonal planar geometry to six B atoms. Both B–B bond lengths are 1.80 Å. In the eleventh B site, B is bonded in a 5-coordinate geometry to five B atoms. There are a spread of B–B bond distances ranging from 1.65–1.73 Å. In the twelfth B site, B is bonded in a 7-coordinate geometry to seven B atoms. The B–B bond length is 2.04 Å. In the thirteenth B site, B is bonded in a 8-coordinate geometry to eight B atoms. In the fourteenth B site, B is bonded in a 7-coordinate geometry to seven B atoms. Both B–B bond lengths are 1.75 Å.
- 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:
- 1266268
- Report Number(s):
- mp-541848
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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