Materials Data on ErWClO4 by Materials Project

doi:10.17188/1706896

Title: Materials Data on ErWClO4 by Materials Project

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Abstract

ErWO4Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Er–O bond distances ranging from 2.27–2.69 Å. There are one shorter (2.71 Å) and one longer (2.74 Å) Er–Cl bond lengths. W6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.80–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Er3+ and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Er3+ and one W6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Er3+ and one W6+ atom. Cl1- is bonded in a distorted water-like geometry to two equivalent Er3+ atoms.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1103556

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; ErWClO4; Cl-Er-O-W

OSTI Identifier:: 1706896

DOI:: https://doi.org/10.17188/1706896

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                    The Materials Project. Materials Data on ErWClO4 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1706896.

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                    The Materials Project. Materials Data on ErWClO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1706896

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                    The Materials Project. 2018.  
"Materials Data on ErWClO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1706896.  https://www.osti.gov/servlets/purl/1706896. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1706896,

  title        = {Materials Data on ErWClO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErWO4Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Er–O bond distances ranging from 2.27–2.69 Å. There are one shorter (2.71 Å) and one longer (2.74 Å) Er–Cl bond lengths. W6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.80–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Er3+ and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Er3+ and one W6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Er3+ and one W6+ atom. Cl1- is bonded in a distorted water-like geometry to two equivalent Er3+ atoms.},

  doi          = {10.17188/1706896},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1706896

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