Materials Data on V5B6 by Materials Project

doi:10.17188/1744082

Title: Materials Data on V5B6 by Materials Project

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Abstract

V5B6 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent V+2.40+ sites. In the first V+2.40+ site, V+2.40+ is bonded in a 7-coordinate geometry to seven B2- atoms. There are a spread of V–B bond distances ranging from 2.24–2.33 Å. In the second V+2.40+ site, V+2.40+ is bonded in a 7-coordinate geometry to seven B2- atoms. There are a spread of V–B bond distances ranging from 2.22–2.33 Å. In the third V+2.40+ site, V+2.40+ is bonded to twelve B2- atoms to form a mixture of edge and face-sharing VB12 cuboctahedra. There are eight shorter (2.30 Å) and four longer (2.36 Å) V–B bond lengths. There are three inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to seven V+2.40+ and two equivalent B2- atoms. Both B–B bond lengths are 1.76 Å. In the second B2- site, B2- is bonded in a 9-coordinate geometry to six V+2.40+ and three B2- atoms. The B–B bond length is 1.73 Å. In the third B2- site, B2- is bonded in a 9-coordinate geometry to seven V+2.40+ and two equivalent B2- atoms. Both B–B bond lengths are 1.80 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1206441

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; V5B6; B-V

OSTI Identifier:: 1744082

DOI:: https://doi.org/10.17188/1744082

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                    The Materials Project. Materials Data on V5B6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744082.

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                    The Materials Project. Materials Data on V5B6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744082

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                    The Materials Project. 2020.  
"Materials Data on V5B6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744082.  https://www.osti.gov/servlets/purl/1744082. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1744082,

  title        = {Materials Data on V5B6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V5B6 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent V+2.40+ sites. In the first V+2.40+ site, V+2.40+ is bonded in a 7-coordinate geometry to seven B2- atoms. There are a spread of V–B bond distances ranging from 2.24–2.33 Å. In the second V+2.40+ site, V+2.40+ is bonded in a 7-coordinate geometry to seven B2- atoms. There are a spread of V–B bond distances ranging from 2.22–2.33 Å. In the third V+2.40+ site, V+2.40+ is bonded to twelve B2- atoms to form a mixture of edge and face-sharing VB12 cuboctahedra. There are eight shorter (2.30 Å) and four longer (2.36 Å) V–B bond lengths. There are three inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to seven V+2.40+ and two equivalent B2- atoms. Both B–B bond lengths are 1.76 Å. In the second B2- site, B2- is bonded in a 9-coordinate geometry to six V+2.40+ and three B2- atoms. The B–B bond length is 1.73 Å. In the third B2- site, B2- is bonded in a 9-coordinate geometry to seven V+2.40+ and two equivalent B2- atoms. Both B–B bond lengths are 1.80 Å.},

  doi          = {10.17188/1744082},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744082

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