Materials Data on CsYbSe2 by Materials Project

doi:10.17188/1188703

Title: Materials Data on CsYbSe2 by Materials Project

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Abstract

CsYbSe2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. All Cs–Se bond lengths are 3.64 Å. Yb3+ is bonded to six equivalent Se2- atoms to form edge-sharing YbSe6 octahedra. All Yb–Se bond lengths are 2.96 Å. Se2- is bonded to three equivalent Cs1+ and three equivalent Yb3+ atoms to form a mixture of distorted edge, face, and corner-sharing SeCs3Yb3 octahedra. The corner-sharing octahedra tilt angles range from 0–41°.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-12325

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; CsYbSe2; Cs-Se-Yb

OSTI Identifier:: 1188703

DOI:: https://doi.org/10.17188/1188703

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                    The Materials Project. Materials Data on CsYbSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188703.

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                    The Materials Project. Materials Data on CsYbSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188703

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                    The Materials Project. 2020.  
"Materials Data on CsYbSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188703.  https://www.osti.gov/servlets/purl/1188703. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1188703,

  title        = {Materials Data on CsYbSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsYbSe2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. All Cs–Se bond lengths are 3.64 Å. Yb3+ is bonded to six equivalent Se2- atoms to form edge-sharing YbSe6 octahedra. All Yb–Se bond lengths are 2.96 Å. Se2- is bonded to three equivalent Cs1+ and three equivalent Yb3+ atoms to form a mixture of distorted edge, face, and corner-sharing SeCs3Yb3 octahedra. The corner-sharing octahedra tilt angles range from 0–41°.},

  doi          = {10.17188/1188703},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1188703

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