Materials Data on B6As by Materials Project

doi:10.17188/1278229

Title: Materials Data on B6As by Materials Project

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Abstract

B6As is T-50 Boron-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two 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 1.78–1.91 Å. In the second B site, B is bonded in a 6-coordinate geometry to five B and one As atom. Both B–B bond lengths are 1.73 Å. The B–As bond length is 2.01 Å. As is bonded in a distorted tetrahedral geometry to three equivalent B and one As atom. The As–As bond length is 2.41 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-624

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; B6As; As-B

OSTI Identifier:: 1278229

DOI:: https://doi.org/10.17188/1278229

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                    The Materials Project. Materials Data on B6As by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278229.

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                    The Materials Project. Materials Data on B6As by Materials Project.  United States.  doi:https://doi.org/10.17188/1278229

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                    The Materials Project. 2020.  
"Materials Data on B6As by Materials Project".  United States.  doi:https://doi.org/10.17188/1278229.  https://www.osti.gov/servlets/purl/1278229. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1278229,

  title        = {Materials Data on B6As by Materials Project},

  author       = {The Materials Project},

  abstractNote = {B6As is T-50 Boron-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two 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 1.78–1.91 Å. In the second B site, B is bonded in a 6-coordinate geometry to five B and one As atom. Both B–B bond lengths are 1.73 Å. The B–As bond length is 2.01 Å. As is bonded in a distorted tetrahedral geometry to three equivalent B and one As atom. The As–As bond length is 2.41 Å.},

  doi          = {10.17188/1278229},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1278229

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