Materials Data on U4CuTe12 by Materials Project

doi:10.17188/1722214

Title: Materials Data on U4CuTe12 by Materials Project

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Abstract

U4CuTe12 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent U+5.50+ sites. In the first U+5.50+ site, U+5.50+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.12–3.23 Å. In the second U+5.50+ site, U+5.50+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.26 Å. In the third U+5.50+ site, U+5.50+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.22 Å. Cu2+ is bonded in a tetrahedral geometry to four Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.59–2.67 Å. There are nine inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent U+5.50+, one Cu2+, and one Te2- atom. The Te–Te bond length is 3.08 Å. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U+5.50+ and one Te2- atom. The Te–Te bond length is 2.94 Å. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1216980

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; U4CuTe12; Cu-Te-U

OSTI Identifier:: 1722214

DOI:: https://doi.org/10.17188/1722214

Citation Formats


                    The Materials Project. Materials Data on U4CuTe12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722214.

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                    The Materials Project. Materials Data on U4CuTe12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722214

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                    The Materials Project. 2020.  
"Materials Data on U4CuTe12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722214.  https://www.osti.gov/servlets/purl/1722214. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1722214,

  title        = {Materials Data on U4CuTe12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U4CuTe12 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent U+5.50+ sites. In the first U+5.50+ site, U+5.50+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.12–3.23 Å. In the second U+5.50+ site, U+5.50+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.26 Å. In the third U+5.50+ site, U+5.50+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.22 Å. Cu2+ is bonded in a tetrahedral geometry to four Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.59–2.67 Å. There are nine inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent U+5.50+, one Cu2+, and one Te2- atom. The Te–Te bond length is 3.08 Å. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U+5.50+ and one Te2- atom. The Te–Te bond length is 2.94 Å. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to two U+5.50+ and one Cu2+ atom. In the fourth Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U+5.50+ and two Te2- atoms. In the fifth Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent U+5.50+ and one Cu2+ atom. In the sixth Te2- site, Te2- is bonded in a 2-coordinate geometry to two U+5.50+ atoms. In the seventh Te2- site, Te2- is bonded to four U+5.50+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids. In the eighth Te2- site, Te2- is bonded to four U+5.50+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids. In the ninth Te2- site, Te2- is bonded to four U+5.50+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids.},

  doi          = {10.17188/1722214},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1722214

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