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Title: Materials Data on B by Materials Project

Abstract

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.

Publication Date:
Other Number(s):
mp-22046
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:
1197313
DOI:
https://doi.org/10.17188/1197313

Citation Formats

The Materials Project. Materials Data on B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197313.
The Materials Project. Materials Data on B by Materials Project. United States. doi:https://doi.org/10.17188/1197313
The Materials Project. 2020. "Materials Data on B by Materials Project". United States. doi:https://doi.org/10.17188/1197313. https://www.osti.gov/servlets/purl/1197313. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1197313,
title = {Materials Data on B by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1197313},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}