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Title: Materials Data on B by Materials Project

Abstract

B is beta Boron structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are fifteen inequivalent B sites. In the first B site, B is bonded in a distorted hexagonal planar geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.75–1.77 Å. In the second 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 1.76–1.88 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 1.69–1.86 Å. In the fourth 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 1.70–1.85 Å. In the fifth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.64 Å) and two longer (1.75 Å) B–B bond length. In the sixth B site, B is bonded in a distorted q6 geometry to nine B atoms. There is three shorter (1.73 Å) and three longer (1.85 Å) B–B bond length. In themore » seventh B site, B is bonded in a 6-coordinate geometry to six equivalent B atoms. All B–B bond lengths are 1.73 Å. In the eighth B site, B is bonded in a distorted hexagonal planar geometry to six B atoms. There is two shorter (1.78 Å) and one longer (1.82 Å) B–B bond length. In the ninth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.70 Å) and one longer (1.83 Å) B–B bond length. In the tenth B site, B is bonded in a 6-coordinate geometry to six B atoms. Both B–B bond lengths are 1.78 Å. In the eleventh B site, B is bonded in a 6-coordinate geometry to six B atoms. Both B–B bond lengths are 1.82 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 1.76–2.01 Å. In the thirteenth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.79 Å) and one longer (1.91 Å) B–B bond length. In the fourteenth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.86 Å) and one longer (1.92 Å) B–B bond length. In the fifteenth B site, B is bonded in a 8-coordinate geometry to eight B atoms.« less

Publication Date:
Other Number(s):
mp-161
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:
1191563
DOI:
https://doi.org/10.17188/1191563

Citation Formats

The Materials Project. Materials Data on B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191563.
The Materials Project. Materials Data on B by Materials Project. United States. doi:https://doi.org/10.17188/1191563
The Materials Project. 2020. "Materials Data on B by Materials Project". United States. doi:https://doi.org/10.17188/1191563. https://www.osti.gov/servlets/purl/1191563. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1191563,
title = {Materials Data on B by Materials Project},
author = {The Materials Project},
abstractNote = {B is beta Boron structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are fifteen inequivalent B sites. In the first B site, B is bonded in a distorted hexagonal planar geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.75–1.77 Å. In the second 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 1.76–1.88 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 1.69–1.86 Å. In the fourth 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 1.70–1.85 Å. In the fifth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.64 Å) and two longer (1.75 Å) B–B bond length. In the sixth B site, B is bonded in a distorted q6 geometry to nine B atoms. There is three shorter (1.73 Å) and three longer (1.85 Å) B–B bond length. In the seventh B site, B is bonded in a 6-coordinate geometry to six equivalent B atoms. All B–B bond lengths are 1.73 Å. In the eighth B site, B is bonded in a distorted hexagonal planar geometry to six B atoms. There is two shorter (1.78 Å) and one longer (1.82 Å) B–B bond length. In the ninth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.70 Å) and one longer (1.83 Å) B–B bond length. In the tenth B site, B is bonded in a 6-coordinate geometry to six B atoms. Both B–B bond lengths are 1.78 Å. In the eleventh B site, B is bonded in a 6-coordinate geometry to six B atoms. Both B–B bond lengths are 1.82 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 1.76–2.01 Å. In the thirteenth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.79 Å) and one longer (1.91 Å) B–B bond length. In the fourteenth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.86 Å) and one longer (1.92 Å) B–B bond length. In the fifteenth B site, B is bonded in a 8-coordinate geometry to eight B atoms.},
doi = {10.17188/1191563},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}