Materials Data on CsUTe6 by Materials Project

doi:10.17188/1716897

Title: Materials Data on CsUTe6 by Materials Project

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Abstract

CsUTe6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Cs–Te bond distances ranging from 3.89–4.18 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Cs–Te bond distances ranging from 3.96–4.20 Å. There are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of U–Te bond distances ranging from 3.06–3.23 Å. In the second U5+ site, U5+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of U–Te bond distances ranging from 3.05–3.19 Å. There are nine inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Cs1+, two U5+, and two Te1- atoms. There are one shorter (2.94 Å) and one longer (3.16 Å) Te–Te bond lengths. In the second Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cs1+, one U5+, and three Te1- atoms. Themore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1197456

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; CsUTe6; Cs-Te-U

OSTI Identifier:: 1716897

DOI:: https://doi.org/10.17188/1716897

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                    The Materials Project. Materials Data on CsUTe6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1716897.

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                    The Materials Project. Materials Data on CsUTe6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1716897

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                    The Materials Project. 2020.  
"Materials Data on CsUTe6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1716897.  https://www.osti.gov/servlets/purl/1716897. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1716897,

  title        = {Materials Data on CsUTe6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsUTe6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Cs–Te bond distances ranging from 3.89–4.18 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Cs–Te bond distances ranging from 3.96–4.20 Å. There are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of U–Te bond distances ranging from 3.06–3.23 Å. In the second U5+ site, U5+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of U–Te bond distances ranging from 3.05–3.19 Å. There are nine inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Cs1+, two U5+, and two Te1- atoms. There are one shorter (2.94 Å) and one longer (3.16 Å) Te–Te bond lengths. In the second Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cs1+, one U5+, and three Te1- atoms. The Te–Te bond length is 2.97 Å. In the third Te1- site, Te1- is bonded in a 2-coordinate geometry to one Cs1+, one U5+, and two equivalent Te1- atoms. Both Te–Te bond lengths are 3.03 Å. In the fourth Te1- site, Te1- is bonded in a 2-coordinate geometry to two Cs1+, two U5+, and two Te1- atoms. There are one shorter (2.92 Å) and one longer (3.09 Å) Te–Te bond lengths. In the fifth Te1- site, Te1- is bonded in a 4-coordinate geometry to one Cs1+, one U5+, and two equivalent Te1- atoms. In the sixth Te1- site, Te1- is bonded in a 2-coordinate geometry to one Cs1+, one U5+, and two equivalent Te1- atoms. Both Te–Te bond lengths are 3.01 Å. In the seventh Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Cs1+, two U5+, and two Te1- atoms. In the eighth Te1- site, Te1- is bonded in a 2-coordinate geometry to two Cs1+, one U5+, and two equivalent Te1- atoms. In the ninth Te1- site, Te1- is bonded in a 1-coordinate geometry to one U5+ and three Te1- atoms.},

  doi          = {10.17188/1716897},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1716897

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