Materials Data on V2B3 by Materials Project

doi:10.17188/1313048

Title: Materials Data on V2B3 by Materials Project

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Abstract

V2B3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent V+4.50+ sites. In the first V+4.50+ site, V+4.50+ is bonded to twelve B3- atoms to form a mixture of edge and face-sharing VB12 cuboctahedra. There are a spread of V–B bond distances ranging from 2.30–2.36 Å. In the second V+4.50+ site, V+4.50+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of V–B bond distances ranging from 2.21–2.32 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six equivalent V+4.50+ and three B3- atoms. There is two shorter (1.72 Å) and one longer (1.73 Å) B–B bond length. In the second B3- site, B3- is bonded in a 9-coordinate geometry to six V+4.50+ and three B3- atoms. Both B–B bond lengths are 1.76 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to seven V+4.50+ and two equivalent B3- atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-9208

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; V2B3; B-V

OSTI Identifier:: 1313048

DOI:: https://doi.org/10.17188/1313048

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                    The Materials Project. Materials Data on V2B3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313048.

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                    The Materials Project. Materials Data on V2B3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313048

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                    The Materials Project. 2020.  
"Materials Data on V2B3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313048.  https://www.osti.gov/servlets/purl/1313048. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1313048,

  title        = {Materials Data on V2B3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2B3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent V+4.50+ sites. In the first V+4.50+ site, V+4.50+ is bonded to twelve B3- atoms to form a mixture of edge and face-sharing VB12 cuboctahedra. There are a spread of V–B bond distances ranging from 2.30–2.36 Å. In the second V+4.50+ site, V+4.50+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of V–B bond distances ranging from 2.21–2.32 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six equivalent V+4.50+ and three B3- atoms. There is two shorter (1.72 Å) and one longer (1.73 Å) B–B bond length. In the second B3- site, B3- is bonded in a 9-coordinate geometry to six V+4.50+ and three B3- atoms. Both B–B bond lengths are 1.76 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to seven V+4.50+ and two equivalent B3- atoms.},

  doi          = {10.17188/1313048},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

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

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

}

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DOI: https://doi.org/10.17188/1313048

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