Materials Data on TmUTe6 by Materials Project

doi:10.17188/1744726

Title: Materials Data on TmUTe6 by Materials Project

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Abstract

UTmTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two UTmTe6 sheets oriented in the (0, 1, 0) direction. U3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of U–Te bond distances ranging from 3.22–3.25 Å. Tm3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Tm–Te bond distances ranging from 3.23–3.25 Å. There are six inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.09 Å. In the second Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Tm3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.09 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Tm3+ atoms. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Tm3+ atom. In the fifth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Tm3+ and four equivalent Te1- atoms. In the sixth Te1- site, Te1-more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1216819

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; TmUTe6; Te-Tm-U

OSTI Identifier:: 1744726

DOI:: https://doi.org/10.17188/1744726

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                    The Materials Project. Materials Data on TmUTe6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744726.

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                    The Materials Project. Materials Data on TmUTe6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744726

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                    The Materials Project. 2020.  
"Materials Data on TmUTe6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744726.  https://www.osti.gov/servlets/purl/1744726. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1744726,

  title        = {Materials Data on TmUTe6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UTmTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two UTmTe6 sheets oriented in the (0, 1, 0) direction. U3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of U–Te bond distances ranging from 3.22–3.25 Å. Tm3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Tm–Te bond distances ranging from 3.23–3.25 Å. There are six inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.09 Å. In the second Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Tm3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.09 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Tm3+ atoms. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Tm3+ atom. In the fifth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Tm3+ and four equivalent Te1- atoms. In the sixth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms.},

  doi          = {10.17188/1744726},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744726

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