Materials Data on B by Materials Project
B is T-50 Boron structured and crystallizes in the tetragonal P4_2/nnm space group. The structure is three-dimensional. there are five inequivalent B sites. In the first B site, B is bonded in a distorted trigonal pyramidal geometry to four equivalent B atoms. All B–B bond lengths are 1.70 Å. In the second 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 1.72–1.83 Å. In the third 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 1.71–1.82 Å. In the fourth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.74 Å) and two longer (1.80 Å) B–B bond length. In the fifth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.78 Å) and one longer (1.86 Å) B–B bond length.
- 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:
- 1197313
- Report Number(s):
- mp-22046
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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