Materials Data on Ce2(WO4)3 by Materials Project

doi:10.17188/1262532

Title: Materials Data on Ce2(WO4)3 by Materials Project

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Abstract

Ce2(WO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.39–2.56 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.80 Å) and two longer (1.85 Å) W–O bond length. In the second W6+ site, W6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.78–2.12 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one W6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ce3+ and two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one W6+ atom. In the fifth O2- site, O2- is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: 2017-05-10

Other Number(s):: mp-505428

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; Ce2(WO4)3; Ce-O-W

OSTI Identifier:: 1262532

DOI:: https://doi.org/10.17188/1262532

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                    The Materials Project. Materials Data on Ce2(WO4)3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1262532.

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                    The Materials Project. Materials Data on Ce2(WO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262532

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                    The Materials Project. 2017.  
"Materials Data on Ce2(WO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262532.  https://www.osti.gov/servlets/purl/1262532. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1262532,

  title        = {Materials Data on Ce2(WO4)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce2(WO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.39–2.56 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.80 Å) and two longer (1.85 Å) W–O bond length. In the second W6+ site, W6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.78–2.12 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one W6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ce3+ and two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ce3+ and one W6+ atom.},

  doi          = {10.17188/1262532},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1262532

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