Materials Data on Eu(ErS2)2 by Materials Project

doi:10.17188/1264930

Title: Materials Data on Eu(ErS2)2 by Materials Project

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Abstract

Eu(ErS2)2 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 S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Er–S bond distances ranging from 2.66–2.75 Å. In the second Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Er–S bond distances ranging from 2.69–2.74 Å. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 3.04–3.29 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing SEu2Er3 square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms. In the third S2- site, S2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form amore »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-541052

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(ErS2)2; Er-Eu-S

OSTI Identifier:: 1264930

DOI:: https://doi.org/10.17188/1264930

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                    The Materials Project. Materials Data on Eu(ErS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1264930.

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                    The Materials Project. Materials Data on Eu(ErS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1264930

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                    The Materials Project. 2020.  
"Materials Data on Eu(ErS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1264930.  https://www.osti.gov/servlets/purl/1264930. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1264930,

  title        = {Materials Data on Eu(ErS2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu(ErS2)2 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 S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Er–S bond distances ranging from 2.66–2.75 Å. In the second Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Er–S bond distances ranging from 2.69–2.74 Å. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 3.04–3.29 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing SEu2Er3 square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms. In the third S2- site, S2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing SEu2Er3 trigonal bipyramids. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms.},

  doi          = {10.17188/1264930},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1264930

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Materials Data on Eu(ErS2)2 by Materials Project

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