Materials Data on CeSe2 by Materials Project

doi:10.17188/1732645

Title: Materials Data on CeSe2 by Materials Project

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Abstract

CeSe2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce4+ is bonded in a 5-coordinate geometry to eleven Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.89–3.39 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to six equivalent Ce4+ and eight Se2- atoms. There are two shorter (2.89 Å) and six longer (3.39 Å) Se–Se bond lengths. In the second Se2- site, Se2- is bonded to five equivalent Ce4+ and six equivalent Se2- atoms to form a mixture of face and corner-sharing SeCe5Se6 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1080330

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; CeSe2; Ce-Se

OSTI Identifier:: 1732645

DOI:: https://doi.org/10.17188/1732645

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                    The Materials Project. Materials Data on CeSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732645.

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                    The Materials Project. Materials Data on CeSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732645

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                    The Materials Project. 2020.  
"Materials Data on CeSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732645.  https://www.osti.gov/servlets/purl/1732645. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1732645,

  title        = {Materials Data on CeSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeSe2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce4+ is bonded in a 5-coordinate geometry to eleven Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.89–3.39 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to six equivalent Ce4+ and eight Se2- atoms. There are two shorter (2.89 Å) and six longer (3.39 Å) Se–Se bond lengths. In the second Se2- site, Se2- is bonded to five equivalent Ce4+ and six equivalent Se2- atoms to form a mixture of face and corner-sharing SeCe5Se6 trigonal bipyramids.},

  doi          = {10.17188/1732645},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1732645

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