Materials Data on Ce2S2O by Materials Project

doi:10.17188/1290218

Title: Materials Data on Ce2S2O by Materials Project

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Abstract

Ce2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Ce–S bond distances ranging from 2.84–2.95 Å. The Ce–O bond length is 2.35 Å. In the second Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to four S2- and three equivalent O2- atoms. There are a spread of Ce–S bond distances ranging from 2.88–3.07 Å. There are a spread of Ce–O bond distances ranging from 2.35–2.41 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Ce3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Ce3+ atoms. O2- is bonded to four Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-755777

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; Ce2S2O; Ce-O-S

OSTI Identifier:: 1290218

DOI:: https://doi.org/10.17188/1290218

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                    The Materials Project. Materials Data on Ce2S2O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290218.

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                    The Materials Project. Materials Data on Ce2S2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1290218

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                    The Materials Project. 2020.  
"Materials Data on Ce2S2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1290218.  https://www.osti.gov/servlets/purl/1290218. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1290218,

  title        = {Materials Data on Ce2S2O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Ce–S bond distances ranging from 2.84–2.95 Å. The Ce–O bond length is 2.35 Å. In the second Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to four S2- and three equivalent O2- atoms. There are a spread of Ce–S bond distances ranging from 2.88–3.07 Å. There are a spread of Ce–O bond distances ranging from 2.35–2.41 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Ce3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Ce3+ atoms. O2- is bonded to four Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.},

  doi          = {10.17188/1290218},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1290218

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