Materials Data on EuAs by Materials Project

doi:10.17188/1683669

Title: Materials Data on EuAs by Materials Project

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Abstract

EuAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six As3- atoms. There are two shorter (3.08 Å) and four longer (3.11 Å) Eu–As bond lengths. In the second Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six As3- atoms. There are four shorter (3.06 Å) and two longer (3.10 Å) Eu–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to six Eu3+ atoms to form a mixture of distorted edge, corner, and face-sharing AsEu6 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. In the second As3- site, As3- is bonded in a 6-coordinate geometry to six Eu3+ and one As3- atom. The As–As bond length is 2.83 Å.

Authors:: The Materials Project

Publication Date:: Sun Apr 26 00:00:00 EDT 2020

Other Number(s):: mp-1101926

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; EuAs; As-Eu

OSTI Identifier:: 1683669

DOI:: https://doi.org/10.17188/1683669

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                    The Materials Project. Materials Data on EuAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1683669.

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                    The Materials Project. Materials Data on EuAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1683669

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                    The Materials Project. 2020.  
"Materials Data on EuAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1683669.  https://www.osti.gov/servlets/purl/1683669. Pub date:Sun Apr 26 00:00:00 EDT 2020

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@article{osti_1683669,

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

  author       = {The Materials Project},

  abstractNote = {EuAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six As3- atoms. There are two shorter (3.08 Å) and four longer (3.11 Å) Eu–As bond lengths. In the second Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six As3- atoms. There are four shorter (3.06 Å) and two longer (3.10 Å) Eu–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to six Eu3+ atoms to form a mixture of distorted edge, corner, and face-sharing AsEu6 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. In the second As3- site, As3- is bonded in a 6-coordinate geometry to six Eu3+ and one As3- atom. The As–As bond length is 2.83 Å.},

  doi          = {10.17188/1683669},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Apr 26 00:00:00 EDT 2020},

  month        = {Sun Apr 26 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1683669

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