Materials Data on Be(BC)2 by Materials Project

doi:10.17188/1275024

Title: Materials Data on Be(BC)2 by Materials Project

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Abstract

BeB2C2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Be2+ is bonded in a distorted rectangular see-saw-like geometry to four C4- atoms. There are a spread of Be–C bond distances ranging from 1.82–1.98 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three C4- atoms. All B–C bond lengths are 1.57 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three C4- atoms. There are a spread of B–C bond distances ranging from 1.54–1.58 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three C4- atoms. There is one shorter (1.57 Å) and two longer (1.58 Å) B–C bond length. There are three inequivalent C4- sites. In the first C4- site, C4- is bonded in a 5-coordinate geometry to two equivalent Be2+ and three B3+ atoms. In the second C4- site, C4- is bonded in a trigonal bipyramidal geometry to two equivalent Be2+ and three B3+ atoms. In the third C4- site, C4- is bonded in a 3-coordinate geometry to two equivalent Be2+ and three B3+ atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-569299

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; Be(BC)2; B-Be-C

OSTI Identifier:: 1275024

DOI:: https://doi.org/10.17188/1275024

Citation Formats


                    The Materials Project. Materials Data on Be(BC)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275024.

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                    The Materials Project. Materials Data on Be(BC)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275024

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                    The Materials Project. 2020.  
"Materials Data on Be(BC)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275024.  https://www.osti.gov/servlets/purl/1275024. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1275024,

  title        = {Materials Data on Be(BC)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BeB2C2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Be2+ is bonded in a distorted rectangular see-saw-like geometry to four C4- atoms. There are a spread of Be–C bond distances ranging from 1.82–1.98 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three C4- atoms. All B–C bond lengths are 1.57 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three C4- atoms. There are a spread of B–C bond distances ranging from 1.54–1.58 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three C4- atoms. There is one shorter (1.57 Å) and two longer (1.58 Å) B–C bond length. There are three inequivalent C4- sites. In the first C4- site, C4- is bonded in a 5-coordinate geometry to two equivalent Be2+ and three B3+ atoms. In the second C4- site, C4- is bonded in a trigonal bipyramidal geometry to two equivalent Be2+ and three B3+ atoms. In the third C4- site, C4- is bonded in a 3-coordinate geometry to two equivalent Be2+ and three B3+ atoms.},

  doi          = {10.17188/1275024},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275024

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