Materials Data on B(HC)2 by Materials Project

doi:10.17188/1745609

Title: Materials Data on B(HC)2 by Materials Project

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Abstract

B(CH)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one B(CH)2 cluster. there are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to two C+2.50- and two H1+ atoms. Both B–C bond lengths are 1.52 Å. There is one shorter (1.24 Å) and one longer (1.26 Å) B–H bond length. In the second B3+ site, B3+ is bonded in a tetrahedral geometry to two C+2.50- and two H1+ atoms. Both B–C bond lengths are 1.52 Å. There is one shorter (1.24 Å) and one longer (1.26 Å) B–H bond length. In the third B3+ site, B3+ is bonded in a tetrahedral geometry to two C+2.50- and two H1+ atoms. Both B–C bond lengths are 1.52 Å. There is one shorter (1.24 Å) and one longer (1.26 Å) B–H bond length. There are six inequivalent C+2.50- sites. In the first C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. The C–C bond length is 1.25 Å. In the second C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. The C–C bondmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1214830

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(HC)2; B-C-H

OSTI Identifier:: 1745609

DOI:: https://doi.org/10.17188/1745609

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                    The Materials Project. Materials Data on B(HC)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1745609.

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                    The Materials Project. Materials Data on B(HC)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1745609

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                    The Materials Project. 2020.  
"Materials Data on B(HC)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1745609.  https://www.osti.gov/servlets/purl/1745609. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1745609,

  title        = {Materials Data on B(HC)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {B(CH)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one B(CH)2 cluster. there are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to two C+2.50- and two H1+ atoms. Both B–C bond lengths are 1.52 Å. There is one shorter (1.24 Å) and one longer (1.26 Å) B–H bond length. In the second B3+ site, B3+ is bonded in a tetrahedral geometry to two C+2.50- and two H1+ atoms. Both B–C bond lengths are 1.52 Å. There is one shorter (1.24 Å) and one longer (1.26 Å) B–H bond length. In the third B3+ site, B3+ is bonded in a tetrahedral geometry to two C+2.50- and two H1+ atoms. Both B–C bond lengths are 1.52 Å. There is one shorter (1.24 Å) and one longer (1.26 Å) B–H bond length. There are six inequivalent C+2.50- sites. In the first C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. The C–C bond length is 1.25 Å. In the second C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. The C–C bond length is 1.26 Å. In the third C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. The C–C bond length is 1.25 Å. In the fourth C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. In the fifth C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. In the sixth C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom.},

  doi          = {10.17188/1745609},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1745609

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