Materials Data on B by Materials Project

doi:10.17188/1266268

Title: Materials Data on B by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

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

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                    The Materials Project. Materials Data on B by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266268.

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                    The Materials Project. Materials Data on B by Materials Project.  United States.  doi:https://doi.org/10.17188/1266268

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                    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

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@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         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1266268

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