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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 and consists of three boron molecules and one B framework. In the B framework, there are fourteen inequivalent B sites. In the first 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 1.69–1.83 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 1.63–1.82 Å. In the third B site, B is bonded in a 8-coordinate geometry to eight B atoms. There are a spread of B–B bond distances ranging from 1.75–1.96 Å. In the fourth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.71 Å) and two longer (1.78 Å) B–B bond length. In the fifth 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 1.72–1.76 Å. In the sixth B site, B is bonded in a 5-coordinate geometry to five B atoms. There is one shorter (1.70 Å) and one longer (1.96more » Å) B–B bond length. In the seventh B site, B is bonded in a 6-coordinate geometry to six B atoms. All B–B bond lengths are 1.84 Å. In the eighth B site, B is bonded in a 8-coordinate geometry to eight B atoms. Both B–B bond lengths are 1.87 Å. In the ninth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is three shorter (1.83 Å) and two longer (1.94 Å) B–B bond length. In the tenth 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 1.75–1.90 Å. In the eleventh 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 1.83–2.01 Å. In the twelfth B site, B is bonded in a 8-coordinate geometry to eight B atoms. There are a spread of B–B bond distances ranging from 1.72–1.79 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 6-coordinate geometry to six B atoms. Both B–B bond lengths are 1.78 Å.« less

Publication Date:
Other Number(s):
mp-1228790
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; B; B
OSTI Identifier:
1707326
DOI:
https://doi.org/10.17188/1707326

Citation Formats

The Materials Project. Materials Data on B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707326.
The Materials Project. Materials Data on B by Materials Project. United States. doi:https://doi.org/10.17188/1707326
The Materials Project. 2020. "Materials Data on B by Materials Project". United States. doi:https://doi.org/10.17188/1707326. https://www.osti.gov/servlets/purl/1707326. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1707326,
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 and consists of three boron molecules and one B framework. In the B framework, there are fourteen inequivalent B sites. In the first 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 1.69–1.83 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 1.63–1.82 Å. In the third B site, B is bonded in a 8-coordinate geometry to eight B atoms. There are a spread of B–B bond distances ranging from 1.75–1.96 Å. In the fourth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.71 Å) and two longer (1.78 Å) B–B bond length. In the fifth 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 1.72–1.76 Å. In the sixth B site, B is bonded in a 5-coordinate geometry to five B atoms. There is one shorter (1.70 Å) and one longer (1.96 Å) B–B bond length. In the seventh B site, B is bonded in a 6-coordinate geometry to six B atoms. All B–B bond lengths are 1.84 Å. In the eighth B site, B is bonded in a 8-coordinate geometry to eight B atoms. Both B–B bond lengths are 1.87 Å. In the ninth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is three shorter (1.83 Å) and two longer (1.94 Å) B–B bond length. In the tenth 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 1.75–1.90 Å. In the eleventh 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 1.83–2.01 Å. In the twelfth B site, B is bonded in a 8-coordinate geometry to eight B atoms. There are a spread of B–B bond distances ranging from 1.72–1.79 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 6-coordinate geometry to six B atoms. Both B–B bond lengths are 1.78 Å.},
doi = {10.17188/1707326},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}