Materials Data on VFeAs by Materials Project

doi:10.17188/1722090

Title: Materials Data on VFeAs by Materials Project

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Abstract

VFeAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. V is bonded in a 5-coordinate geometry to five As atoms. There are one shorter (2.54 Å) and four longer (2.59 Å) V–As bond lengths. Fe is bonded in a 4-coordinate geometry to four As atoms. There are two shorter (2.33 Å) and two longer (2.37 Å) Fe–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a distorted q6 geometry to three equivalent V and six equivalent Fe atoms. In the second As site, As is bonded in a 9-coordinate geometry to six equivalent V and three equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1095040

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; VFeAs; As-Fe-V

OSTI Identifier:: 1722090

DOI:: https://doi.org/10.17188/1722090

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                    The Materials Project. Materials Data on VFeAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722090.

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                    The Materials Project. Materials Data on VFeAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1722090

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                    The Materials Project. 2020.  
"Materials Data on VFeAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1722090.  https://www.osti.gov/servlets/purl/1722090. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1722090,

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

  author       = {The Materials Project},

  abstractNote = {VFeAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. V is bonded in a 5-coordinate geometry to five As atoms. There are one shorter (2.54 Å) and four longer (2.59 Å) V–As bond lengths. Fe is bonded in a 4-coordinate geometry to four As atoms. There are two shorter (2.33 Å) and two longer (2.37 Å) Fe–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a distorted q6 geometry to three equivalent V and six equivalent Fe atoms. In the second As site, As is bonded in a 9-coordinate geometry to six equivalent V and three equivalent Fe atoms.},

  doi          = {10.17188/1722090},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1722090

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