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Title: Materials Data on B by Materials Project

Abstract

B crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve 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 1.65–2.04 Å. In the second 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 1.70–1.75 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 1.77–2.07 Å. In the fourth 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 1.65–1.99 Å. In the fifth 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 1.66–2.15 Å. In the sixth 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 1.77–2.08 Å. In the seventh B site, B is bonded in a 7-coordinate geometry to sevenmore » B atoms. The B–B bond length is 1.67 Å. In the eighth B site, B is bonded in a 4-coordinate geometry to six B atoms. There is two shorter (1.68 Å) and one longer (2.18 Å) B–B bond length. In the ninth 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 1.69–1.91 Å. In the tenth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.84 Å) and one longer (1.88 Å) B–B bond length. In the eleventh B site, B is bonded in a distorted trigonal planar geometry to four B atoms. In the twelfth B site, B is bonded in a 2-coordinate geometry to eight B atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-632401
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:
1279310
DOI:
10.17188/1279310

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279310.
Persson, Kristin, & Project, Materials. Materials Data on B by Materials Project. United States. doi:10.17188/1279310.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on B by Materials Project". United States. doi:10.17188/1279310. https://www.osti.gov/servlets/purl/1279310. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1279310,
title = {Materials Data on B by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {B crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve 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 1.65–2.04 Å. In the second 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 1.70–1.75 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 1.77–2.07 Å. In the fourth 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 1.65–1.99 Å. In the fifth 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 1.66–2.15 Å. In the sixth 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 1.77–2.08 Å. In the seventh B site, B is bonded in a 7-coordinate geometry to seven B atoms. The B–B bond length is 1.67 Å. In the eighth B site, B is bonded in a 4-coordinate geometry to six B atoms. There is two shorter (1.68 Å) and one longer (2.18 Å) B–B bond length. In the ninth 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 1.69–1.91 Å. In the tenth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.84 Å) and one longer (1.88 Å) B–B bond length. In the eleventh B site, B is bonded in a distorted trigonal planar geometry to four B atoms. In the twelfth B site, B is bonded in a 2-coordinate geometry to eight B atoms.},
doi = {10.17188/1279310},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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