Materials Data on FeAs by Materials Project

doi:10.17188/1208014

Title: Materials Data on FeAs by Materials Project

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Abstract

FeAs is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent As3- atoms to form a mixture of distorted corner, edge, and face-sharing FeAs6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of Fe–As bond distances ranging from 2.32–2.50 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Fe3+ atoms.

Publication Date:: Wed Jul 15 04:00:00 UTC 2020

Other Number(s):: mp-427

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; As-Fe; FeAs; crystal structure

OSTI Identifier:: 1208014

DOI:: https://doi.org/10.17188/1208014

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                    Materials Data on FeAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1208014.

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                    Materials Data on FeAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1208014

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                    2020.  
"Materials Data on FeAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1208014.  https://www.osti.gov/servlets/purl/1208014. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1208014,

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

  
  abstractNote = {FeAs is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent As3- atoms to form a mixture of distorted corner, edge, and face-sharing FeAs6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of Fe–As bond distances ranging from 2.32–2.50 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Fe3+ atoms.},

  doi          = {10.17188/1208014},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 04:00:00 UTC 2020},

  month        = {Wed Jul 15 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1208014

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