Materials Data on LiErO2 by Materials Project

doi:10.17188/1187491

Title: Materials Data on LiErO2 by Materials Project

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Abstract

LiErO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.06 Å. Er3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 17–30°. There are a spread of Er–O bond distances ranging from 2.20–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+ and three equivalent Er3+ atoms. In the second O2- site, O2- is bonded to two equivalent Li1+ and three equivalent Er3+ atoms to form a mixture of distorted edge and corner-sharing OLi2Er3 square pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-10970

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; LiErO2; Er-Li-O

OSTI Identifier:: 1187491

DOI:: https://doi.org/10.17188/1187491

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                    The Materials Project. Materials Data on LiErO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187491.

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                    The Materials Project. Materials Data on LiErO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187491

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                    The Materials Project. 2020.  
"Materials Data on LiErO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187491.  https://www.osti.gov/servlets/purl/1187491. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1187491,

  title        = {Materials Data on LiErO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiErO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.06 Å. Er3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 17–30°. There are a spread of Er–O bond distances ranging from 2.20–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+ and three equivalent Er3+ atoms. In the second O2- site, O2- is bonded to two equivalent Li1+ and three equivalent Er3+ atoms to form a mixture of distorted edge and corner-sharing OLi2Er3 square pyramids.},

  doi          = {10.17188/1187491},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187491

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