Materials Data on V5As3 by Materials Project

doi:10.17188/1285586

Title: Materials Data on V5As3 by Materials Project

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Abstract

V5As3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six As atoms. There are a spread of V–As bond distances ranging from 2.51–2.80 Å. In the second V site, V is bonded in a 4-coordinate geometry to four equivalent As atoms. All V–As bond lengths are 2.52 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 10-coordinate geometry to ten V atoms. In the second As site, As is bonded in a 10-coordinate geometry to eight equivalent V and two equivalent As atoms. Both As–As bond lengths are 2.47 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-7022

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; V5As3; As-V

OSTI Identifier:: 1285586

DOI:: https://doi.org/10.17188/1285586

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                    The Materials Project. Materials Data on V5As3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1285586.

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                    The Materials Project. Materials Data on V5As3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1285586

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                    The Materials Project. 2020.  
"Materials Data on V5As3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1285586.  https://www.osti.gov/servlets/purl/1285586. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1285586,

  title        = {Materials Data on V5As3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V5As3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six As atoms. There are a spread of V–As bond distances ranging from 2.51–2.80 Å. In the second V site, V is bonded in a 4-coordinate geometry to four equivalent As atoms. All V–As bond lengths are 2.52 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 10-coordinate geometry to ten V atoms. In the second As site, As is bonded in a 10-coordinate geometry to eight equivalent V and two equivalent As atoms. Both As–As bond lengths are 2.47 Å.},

  doi          = {10.17188/1285586},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1285586

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