Materials Data on CsTe4 by Materials Project

doi:10.17188/1663884

Title: Materials Data on CsTe4 by Materials Project

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Abstract

CsTe4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Te+0.25- atoms. There are a spread of Cs–Te bond distances ranging from 3.94–4.16 Å. There are four inequivalent Te+0.25- sites. In the first Te+0.25- site, Te+0.25- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two Te+0.25- atoms. There are one shorter (2.83 Å) and one longer (2.96 Å) Te–Te bond lengths. In the second Te+0.25- site, Te+0.25- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three Te+0.25- atoms. There are a spread of Te–Te bond distances ranging from 2.80–3.37 Å. In the third Te+0.25- site, Te+0.25- is bonded in a 6-coordinate geometry to one Cs1+ and five Te+0.25- atoms. There are one shorter (2.91 Å) and one longer (3.60 Å) Te–Te bond lengths. In the fourth Te+0.25- site, Te+0.25- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and three Te+0.25- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1178386

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; CsTe4; Cs-Te

OSTI Identifier:: 1663884

DOI:: https://doi.org/10.17188/1663884

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                    The Materials Project. Materials Data on CsTe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663884.

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                    The Materials Project. Materials Data on CsTe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663884

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                    The Materials Project. 2020.  
"Materials Data on CsTe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663884.  https://www.osti.gov/servlets/purl/1663884. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1663884,

  title        = {Materials Data on CsTe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsTe4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Te+0.25- atoms. There are a spread of Cs–Te bond distances ranging from 3.94–4.16 Å. There are four inequivalent Te+0.25- sites. In the first Te+0.25- site, Te+0.25- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two Te+0.25- atoms. There are one shorter (2.83 Å) and one longer (2.96 Å) Te–Te bond lengths. In the second Te+0.25- site, Te+0.25- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three Te+0.25- atoms. There are a spread of Te–Te bond distances ranging from 2.80–3.37 Å. In the third Te+0.25- site, Te+0.25- is bonded in a 6-coordinate geometry to one Cs1+ and five Te+0.25- atoms. There are one shorter (2.91 Å) and one longer (3.60 Å) Te–Te bond lengths. In the fourth Te+0.25- site, Te+0.25- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and three Te+0.25- atoms.},

  doi          = {10.17188/1663884},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1663884

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