Materials Data on Eu(ErSe2)2 by Materials Project

doi:10.17188/1700887

Title: Materials Data on Eu(ErSe2)2 by Materials Project

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Abstract

EuEr2Se4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing ErSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–64°. There are a spread of Er–Se bond distances ranging from 2.79–2.87 Å. In the second Er3+ site, Er3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing ErSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–64°. There are a spread of Er–Se bond distances ranging from 2.81–2.88 Å. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.18–3.42 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms. In the second Se2- site, Se2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form distorted edge-sharing SeEu2Er3 square pyramids. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms. In the fourth Se2- site,more »« less

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1193984

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; Eu(ErSe2)2; Er-Eu-Se

OSTI Identifier:: 1700887

DOI:: https://doi.org/10.17188/1700887

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                    The Materials Project. Materials Data on Eu(ErSe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1700887.

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                    The Materials Project. Materials Data on Eu(ErSe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1700887

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                    The Materials Project. 2020.  
"Materials Data on Eu(ErSe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1700887.  https://www.osti.gov/servlets/purl/1700887. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1700887,

  title        = {Materials Data on Eu(ErSe2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {EuEr2Se4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing ErSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–64°. There are a spread of Er–Se bond distances ranging from 2.79–2.87 Å. In the second Er3+ site, Er3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing ErSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–64°. There are a spread of Er–Se bond distances ranging from 2.81–2.88 Å. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.18–3.42 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms. In the second Se2- site, Se2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form distorted edge-sharing SeEu2Er3 square pyramids. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Er3+ and two equivalent Eu2+ atoms.},

  doi          = {10.17188/1700887},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1700887

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