Materials Data on CeSe2 by Materials Project

doi:10.17188/1707059

Title: Materials Data on CeSe2 by Materials Project

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Abstract

CeSe2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to eight Se2- atoms to form distorted edge-sharing CeSe8 hexagonal bipyramids. There are a spread of Ce–Se bond distances ranging from 2.89–3.17 Å. In the second Ce4+ site, Ce4+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.81–3.30 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four Ce4+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four Ce4+ atoms. In the third Se2- site, Se2- is bonded in a T-shaped geometry to three Ce4+ atoms.

Authors:: The Materials Project

Publication Date:: 2018-04-20

Other Number(s):: mp-1080349

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:: 1707059

DOI:: https://doi.org/10.17188/1707059

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                    The Materials Project. Materials Data on CeSe2 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1707059.

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                    The Materials Project. Materials Data on CeSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707059

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                    The Materials Project. 2018.  
"Materials Data on CeSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707059.  https://www.osti.gov/servlets/purl/1707059. Pub date:Fri Apr 20 00:00:00 EDT 2018

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@article{osti_1707059,

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

  author       = {The Materials Project},

  abstractNote = {CeSe2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to eight Se2- atoms to form distorted edge-sharing CeSe8 hexagonal bipyramids. There are a spread of Ce–Se bond distances ranging from 2.89–3.17 Å. In the second Ce4+ site, Ce4+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.81–3.30 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four Ce4+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four Ce4+ atoms. In the third Se2- site, Se2- is bonded in a T-shaped geometry to three Ce4+ atoms.},

  doi          = {10.17188/1707059},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1707059

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