Materials Data on Er2SiSeO4 by Materials Project

doi:10.17188/1192599

Title: Materials Data on Er2SiSeO4 by Materials Project

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Abstract

Er2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both Er–Se bond lengths are 3.02 Å. There are a spread of Er–O bond distances ranging from 2.32–2.42 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (2.85 Å) and one longer (2.94 Å) Er–Se bond lengths. There are a spread of Er–O bond distances ranging from 2.37–2.53 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. Se2- is bonded in a 4-coordinate geometry to four Er3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one Si4+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-17633

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; Er2SiSeO4; Er-O-Se-Si

OSTI Identifier:: 1192599

DOI:: https://doi.org/10.17188/1192599

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                    The Materials Project. Materials Data on Er2SiSeO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192599.

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                    The Materials Project. Materials Data on Er2SiSeO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192599

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                    The Materials Project. 2020.  
"Materials Data on Er2SiSeO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192599.  https://www.osti.gov/servlets/purl/1192599. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1192599,

  title        = {Materials Data on Er2SiSeO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both Er–Se bond lengths are 3.02 Å. There are a spread of Er–O bond distances ranging from 2.32–2.42 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (2.85 Å) and one longer (2.94 Å) Er–Se bond lengths. There are a spread of Er–O bond distances ranging from 2.37–2.53 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. Se2- is bonded in a 4-coordinate geometry to four Er3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one Si4+ atom.},

  doi          = {10.17188/1192599},

  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/10.17188/1192599

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