Materials Data on Eu5As4 by Materials Project

doi:10.17188/1678638

Title: Materials Data on Eu5As4 by Materials Project

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Abstract

Eu5As4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Eu+2.40+ sites. In the first Eu+2.40+ site, Eu+2.40+ is bonded to six As3- atoms to form a mixture of distorted edge, face, and corner-sharing EuAs6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 38–43°. There are a spread of Eu–As bond distances ranging from 3.09–3.23 Å. In the second Eu+2.40+ site, Eu+2.40+ is bonded to six As3- atoms to form a mixture of face and corner-sharing EuAs6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Eu–As bond distances ranging from 3.08–3.18 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to seven Eu+2.40+ atoms to form a mixture of distorted edge and corner-sharing AsEu7 pentagonal bipyramids. In the second As3- site, As3- is bonded in a 9-coordinate geometry to eight Eu+2.40+ and one As3- atom. The As–As bond length is 2.83 Å.

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1106198

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; Eu5As4; As-Eu

OSTI Identifier:: 1678638

DOI:: https://doi.org/10.17188/1678638

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                    The Materials Project. Materials Data on Eu5As4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1678638.

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                    The Materials Project. Materials Data on Eu5As4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678638

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                    The Materials Project. 2019.  
"Materials Data on Eu5As4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678638.  https://www.osti.gov/servlets/purl/1678638. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1678638,

  title        = {Materials Data on Eu5As4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu5As4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Eu+2.40+ sites. In the first Eu+2.40+ site, Eu+2.40+ is bonded to six As3- atoms to form a mixture of distorted edge, face, and corner-sharing EuAs6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 38–43°. There are a spread of Eu–As bond distances ranging from 3.09–3.23 Å. In the second Eu+2.40+ site, Eu+2.40+ is bonded to six As3- atoms to form a mixture of face and corner-sharing EuAs6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Eu–As bond distances ranging from 3.08–3.18 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to seven Eu+2.40+ atoms to form a mixture of distorted edge and corner-sharing AsEu7 pentagonal bipyramids. In the second As3- site, As3- is bonded in a 9-coordinate geometry to eight Eu+2.40+ and one As3- atom. The As–As bond length is 2.83 Å.},

  doi          = {10.17188/1678638},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1678638

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