Materials Data on Ce2SO2 by Materials Project

doi:10.17188/1207691

Title: Materials Data on Ce2SO2 by Materials Project

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Abstract

Ce2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ce3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Ce–S bond lengths are 2.97 Å. There are three shorter (2.36 Å) and one longer (2.37 Å) Ce–O bond lengths. S2- is bonded to six equivalent Ce3+ atoms to form distorted SCe6 octahedra that share corners with twelve equivalent OCe4 tetrahedra, edges with six equivalent SCe6 octahedra, and edges with six equivalent OCe4 tetrahedra. O2- is bonded to four equivalent Ce3+ atoms to form OCe4 tetrahedra that share corners with six equivalent SCe6 octahedra, corners with six equivalent OCe4 tetrahedra, edges with three equivalent SCe6 octahedra, and edges with three equivalent OCe4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–50°.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-3972

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; Ce2SO2; Ce-O-S

OSTI Identifier:: 1207691

DOI:: https://doi.org/10.17188/1207691

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                    The Materials Project. Materials Data on Ce2SO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207691.

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                    The Materials Project. Materials Data on Ce2SO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207691

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                    The Materials Project. 2020.  
"Materials Data on Ce2SO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207691.  https://www.osti.gov/servlets/purl/1207691. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1207691,

  title        = {Materials Data on Ce2SO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ce3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Ce–S bond lengths are 2.97 Å. There are three shorter (2.36 Å) and one longer (2.37 Å) Ce–O bond lengths. S2- is bonded to six equivalent Ce3+ atoms to form distorted SCe6 octahedra that share corners with twelve equivalent OCe4 tetrahedra, edges with six equivalent SCe6 octahedra, and edges with six equivalent OCe4 tetrahedra. O2- is bonded to four equivalent Ce3+ atoms to form OCe4 tetrahedra that share corners with six equivalent SCe6 octahedra, corners with six equivalent OCe4 tetrahedra, edges with three equivalent SCe6 octahedra, and edges with three equivalent OCe4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–50°.},

  doi          = {10.17188/1207691},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207691

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