Materials Data on Fe2As by Materials Project

doi:10.17188/1195551

Title: Materials Data on Fe2As by Materials Project

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Abstract

Fe2As crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five equivalent As atoms. There are one shorter (2.42 Å) and four longer (2.61 Å) Fe–As bond lengths. In the second Fe site, Fe is bonded to four equivalent As atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.39 Å. As is bonded in a 9-coordinate geometry to nine Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-20426

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; Fe2As; As-Fe

OSTI Identifier:: 1195551

DOI:: https://doi.org/10.17188/1195551

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                    The Materials Project. Materials Data on Fe2As by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195551.

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                    The Materials Project. Materials Data on Fe2As by Materials Project.  United States.  doi:https://doi.org/10.17188/1195551

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                    The Materials Project. 2020.  
"Materials Data on Fe2As by Materials Project".  United States.  doi:https://doi.org/10.17188/1195551.  https://www.osti.gov/servlets/purl/1195551. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1195551,

  title        = {Materials Data on Fe2As by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe2As crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five equivalent As atoms. There are one shorter (2.42 Å) and four longer (2.61 Å) Fe–As bond lengths. In the second Fe site, Fe is bonded to four equivalent As atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.39 Å. As is bonded in a 9-coordinate geometry to nine Fe atoms.},

  doi          = {10.17188/1195551},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1195551

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