Materials Data on B2(CN2)3 by Materials Project

doi:10.17188/1316804

Title: Materials Data on B2(CN2)3 by Materials Project

Dataset
Other Related Research

Abstract

B2(CN2)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.44–1.49 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.40–1.45 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted see-saw-like geometry to four N3- atoms. There are a spread of C–N bond distances ranging from 1.46–1.54 Å. In the second C4+ site, C4+ is bonded to four N3- atoms to form corner-sharing CN4 tetrahedra. There are a spread of C–N bond distances ranging from 1.45–1.61 Å. In the third C4+ site, C4+ is bonded to four N3- atoms to form corner-sharing CN4 tetrahedra. There are a spread of C–N bond distances ranging from 1.45–1.62 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one B3+ and two C4+ atoms. In the second N3- site,more »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-989466

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; B2(CN2)3; B-C-N

OSTI Identifier:: 1316804

DOI:: https://doi.org/10.17188/1316804

Citation Formats


                    The Materials Project. Materials Data on B2(CN2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316804.

Copy to clipboard


                    The Materials Project. Materials Data on B2(CN2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316804

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on B2(CN2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316804.  https://www.osti.gov/servlets/purl/1316804. Pub date:Wed Jul 15 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1316804,

  title        = {Materials Data on B2(CN2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {B2(CN2)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.44–1.49 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.40–1.45 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted see-saw-like geometry to four N3- atoms. There are a spread of C–N bond distances ranging from 1.46–1.54 Å. In the second C4+ site, C4+ is bonded to four N3- atoms to form corner-sharing CN4 tetrahedra. There are a spread of C–N bond distances ranging from 1.45–1.61 Å. In the third C4+ site, C4+ is bonded to four N3- atoms to form corner-sharing CN4 tetrahedra. There are a spread of C–N bond distances ranging from 1.45–1.62 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one B3+ and two C4+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one B3+ and two C4+ atoms. In the third N3- site, N3- is bonded in a distorted trigonal planar geometry to one B3+ and two C4+ atoms. In the fourth N3- site, N3- is bonded in a distorted trigonal planar geometry to one B3+ and two equivalent C4+ atoms. In the fifth N3- site, N3- is bonded in a distorted trigonal planar geometry to one B3+ and two C4+ atoms. In the sixth N3- site, N3- is bonded in a distorted trigonal planar geometry to one B3+ and two equivalent C4+ atoms.},

  doi          = {10.17188/1316804},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1316804

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on B2(CN2)3 by Materials Project

Dataset The Materials Project

B2(CN2)3 crystallizes in the trigonal R32 space group. The structure is two-dimensional and consists of three B2(CN2)3 sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All B–N bond lengths are 1.44 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.22 Å. N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom.
Materials Data on B2(CN2)3 by Materials Project

Dataset The Materials Project

B2(CN2)3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two B2(CN2)3 sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three N3- atoms. All B–N bond lengths are 1.43 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.22 Å. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.22 Å. There are threemore »« less
Materials Data on B2(CN2)3 by Materials Project

Dataset The Materials Project

B2(CN2)3 crystallizes in the trigonal R-3c space group. The structure is two-dimensional and consists of six B2(CN2)3 sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All B–N bond lengths are 1.43 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.22 Å. N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom.
Materials Data on B2(CN2)3 by Materials Project

Dataset The Materials Project

B2(CN2)3 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two B2(CN2)3 ribbons oriented in the (0, 1, 0) direction. B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is one shorter (1.39 Å) and two longer (1.52 Å) B–N bond length. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.35 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry tomore »« less
Materials Data on B2(CN2)3 by Materials Project

Dataset The Materials Project

B2(CN2)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four N3- atoms to form BN4 tetrahedra that share corners with eight CN4 tetrahedra. There are a spread of B–N bond distances ranging from 1.46–1.71 Å. In the second B3+ site, B3+ is bonded to four N3- atoms to form BN4 tetrahedra that share a cornercorner with one BN4 tetrahedra, corners with eight CN4 tetrahedra, and an edgeedge with one BN4 tetrahedra. There are a spread of B–N bond distances ranging from 1.47–1.63more »« less

Similar Records