Materials Data on VCrB2 by Materials Project

doi:10.17188/1713489

Title: Materials Data on VCrB2 by Materials Project

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Abstract

(VCr)B2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. V3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of V–B bond distances ranging from 2.20–2.30 Å. Cr3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Cr–B bond distances ranging from 2.20–2.31 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent V3+, three equivalent Cr3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.78 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent V3+, four equivalent Cr3+, and two equivalent B3- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1216398

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; VCrB2; B-Cr-V

OSTI Identifier:: 1713489

DOI:: https://doi.org/10.17188/1713489

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                    The Materials Project. Materials Data on VCrB2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1713489.

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                    The Materials Project. Materials Data on VCrB2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1713489

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                    The Materials Project. 2020.  
"Materials Data on VCrB2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1713489.  https://www.osti.gov/servlets/purl/1713489. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1713489,

  title        = {Materials Data on VCrB2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(VCr)B2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. V3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of V–B bond distances ranging from 2.20–2.30 Å. Cr3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Cr–B bond distances ranging from 2.20–2.31 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent V3+, three equivalent Cr3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.78 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent V3+, four equivalent Cr3+, and two equivalent B3- atoms.},

  doi          = {10.17188/1713489},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1713489

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