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Title: Materials Data on B by Materials Project

Abstract

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 amore » 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.« less

Authors:
Publication Date:
Other Number(s):
mp-541848
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; B; B
OSTI Identifier:
1266268
DOI:
https://doi.org/10.17188/1266268

Citation Formats

The Materials Project. Materials Data on B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266268.
The Materials Project. Materials Data on B by Materials Project. United States. doi:https://doi.org/10.17188/1266268
The Materials Project. 2020. "Materials Data on B by Materials Project". United States. doi:https://doi.org/10.17188/1266268. https://www.osti.gov/servlets/purl/1266268. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1266268,
title = {Materials Data on B by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1266268},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}