Materials Data on Cs3ErO3 by Materials Project

doi:10.17188/1290687

Title: Materials Data on Cs3ErO3 by Materials Project

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Abstract

Cs3ErO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.97 Å) and two longer (3.41 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (3.13 Å) and two longer (3.26 Å) Cs–O bond lengths. In the third Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.86–3.36 Å. Er3+ is bonded to four O2- atoms to form edge-sharing ErO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.11–2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six Cs1+ and one Er3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Er3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-757032

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; Cs3ErO3; Cs-Er-O

OSTI Identifier:: 1290687

DOI:: https://doi.org/10.17188/1290687

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                    The Materials Project. Materials Data on Cs3ErO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290687.

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                    The Materials Project. Materials Data on Cs3ErO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290687

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                    The Materials Project. 2020.  
"Materials Data on Cs3ErO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290687.  https://www.osti.gov/servlets/purl/1290687. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1290687,

  title        = {Materials Data on Cs3ErO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs3ErO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.97 Å) and two longer (3.41 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (3.13 Å) and two longer (3.26 Å) Cs–O bond lengths. In the third Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.86–3.36 Å. Er3+ is bonded to four O2- atoms to form edge-sharing ErO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.11–2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six Cs1+ and one Er3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Er3+ atoms.},

  doi          = {10.17188/1290687},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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