Materials Data on Cs2Te13 by Materials Project

doi:10.17188/1262545

Title: Materials Data on Cs2Te13 by Materials Project

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Abstract

Cs2Te13 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve Te+0.15- atoms. There are a spread of Cs–Te bond distances ranging from 3.82–4.27 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Te+0.15- atoms. There are a spread of Cs–Te bond distances ranging from 4.01–4.46 Å. There are seven inequivalent Te+0.15- sites. In the first Te+0.15- site, Te+0.15- is bonded in a 3-coordinate geometry to two Cs1+ and three Te+0.15- atoms. There are a spread of Te–Te bond distances ranging from 2.80–3.57 Å. In the second Te+0.15- site, Te+0.15- is bonded in a 5-coordinate geometry to one Cs1+ and four Te+0.15- atoms. There are a spread of Te–Te bond distances ranging from 2.81–3.51 Å. In the third Te+0.15- site, Te+0.15- is bonded in a 6-coordinate geometry to two Cs1+ and four Te+0.15- atoms. There are a spread of Te–Te bond distances ranging from 2.86–3.62 Å. In the fourth Te+0.15- site, Te+0.15- is bonded in a 4-coordinate geometry to two Cs1+ and four Te+0.15- atoms. There are one shorter (2.98 Å) and onemore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-505464

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; Cs2Te13; Cs-Te

OSTI Identifier:: 1262545

DOI:: https://doi.org/10.17188/1262545

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                    The Materials Project. Materials Data on Cs2Te13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262545.

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                    The Materials Project. Materials Data on Cs2Te13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262545

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                    The Materials Project. 2020.  
"Materials Data on Cs2Te13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262545.  https://www.osti.gov/servlets/purl/1262545. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1262545,

  title        = {Materials Data on Cs2Te13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2Te13 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve Te+0.15- atoms. There are a spread of Cs–Te bond distances ranging from 3.82–4.27 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Te+0.15- atoms. There are a spread of Cs–Te bond distances ranging from 4.01–4.46 Å. There are seven inequivalent Te+0.15- sites. In the first Te+0.15- site, Te+0.15- is bonded in a 3-coordinate geometry to two Cs1+ and three Te+0.15- atoms. There are a spread of Te–Te bond distances ranging from 2.80–3.57 Å. In the second Te+0.15- site, Te+0.15- is bonded in a 5-coordinate geometry to one Cs1+ and four Te+0.15- atoms. There are a spread of Te–Te bond distances ranging from 2.81–3.51 Å. In the third Te+0.15- site, Te+0.15- is bonded in a 6-coordinate geometry to two Cs1+ and four Te+0.15- atoms. There are a spread of Te–Te bond distances ranging from 2.86–3.62 Å. In the fourth Te+0.15- site, Te+0.15- is bonded in a 4-coordinate geometry to two Cs1+ and four Te+0.15- atoms. There are one shorter (2.98 Å) and one longer (3.66 Å) Te–Te bond lengths. In the fifth Te+0.15- site, Te+0.15- is bonded in a 7-coordinate geometry to two Cs1+ and five Te+0.15- atoms. The Te–Te bond length is 2.83 Å. In the sixth Te+0.15- site, Te+0.15- is bonded in a 6-coordinate geometry to one Cs1+ and five Te+0.15- atoms. In the seventh Te+0.15- site, Te+0.15- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent Te+0.15- atoms.},

  doi          = {10.17188/1262545},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1262545

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