Materials Data on B4C by Materials Project

doi:10.17188/1272880

Title: Materials Data on B4C by Materials Project

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Abstract

B4C 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 distorted single-bond geometry to two B and one C atom. Both B–B bond lengths are 1.71 Å. The B–C bond length is 1.64 Å. In the second B site, B is bonded in a 5-coordinate geometry to five B atoms. There is two shorter (1.77 Å) and two longer (1.79 Å) B–B bond length. There are two inequivalent C sites. In the first C site, C is bonded to three equivalent B and one C atom to form distorted corner-sharing CB3C tetrahedra. The C–C bond length is 1.31 Å. In the second C site, C is bonded in a linear geometry to two equivalent C atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-571655

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; B4C; B-C

OSTI Identifier:: 1272880

DOI:: https://doi.org/10.17188/1272880

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                    The Materials Project. Materials Data on B4C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272880.

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                    The Materials Project. Materials Data on B4C by Materials Project.  United States.  doi:https://doi.org/10.17188/1272880

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                    The Materials Project. 2020.  
"Materials Data on B4C by Materials Project".  United States.  doi:https://doi.org/10.17188/1272880.  https://www.osti.gov/servlets/purl/1272880. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1272880,

  title        = {Materials Data on B4C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {B4C 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 distorted single-bond geometry to two B and one C atom. Both B–B bond lengths are 1.71 Å. The B–C bond length is 1.64 Å. In the second B site, B is bonded in a 5-coordinate geometry to five B atoms. There is two shorter (1.77 Å) and two longer (1.79 Å) B–B bond length. There are two inequivalent C sites. In the first C site, C is bonded to three equivalent B and one C atom to form distorted corner-sharing CB3C tetrahedra. The C–C bond length is 1.31 Å. In the second C site, C is bonded in a linear geometry to two equivalent C atoms.},

  doi          = {10.17188/1272880},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1272880

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