Materials Data on UTe3 by Materials Project

doi:10.17188/1308051

Title: Materials Data on UTe3 by Materials Project

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Abstract

UTe3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one UTe3 sheet oriented in the (0, 0, 1) direction. U6+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.18 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U6+ and two equivalent Te2- atoms. There are one shorter (2.83 Å) and one longer (3.21 Å) Te–Te bond lengths. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U6+ and two equivalent Te2- atoms. In the third Te2- site, Te2- is bonded to four equivalent U6+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-8357

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; UTe3; Te-U

OSTI Identifier:: 1308051

DOI:: https://doi.org/10.17188/1308051

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                    The Materials Project. Materials Data on UTe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1308051.

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                    The Materials Project. Materials Data on UTe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1308051

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                    The Materials Project. 2020.  
"Materials Data on UTe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1308051.  https://www.osti.gov/servlets/purl/1308051. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1308051,

  title        = {Materials Data on UTe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UTe3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one UTe3 sheet oriented in the (0, 0, 1) direction. U6+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.18 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U6+ and two equivalent Te2- atoms. There are one shorter (2.83 Å) and one longer (3.21 Å) Te–Te bond lengths. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent U6+ and two equivalent Te2- atoms. In the third Te2- site, Te2- is bonded to four equivalent U6+ atoms to form a mixture of distorted edge and corner-sharing TeU4 trigonal pyramids.},

  doi          = {10.17188/1308051},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1308051

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