Materials Data on HoUTe3 by Materials Project

doi:10.17188/1753509

Title: Materials Data on HoUTe3 by Materials Project

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Abstract

UHoTe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U3+ is bonded to seven Te2- atoms to form a mixture of distorted edge and corner-sharing UTe7 pentagonal bipyramids. There are a spread of U–Te bond distances ranging from 3.10–3.19 Å. Ho3+ is bonded in a 7-coordinate geometry to eight Te2- atoms. There are a spread of Ho–Te bond distances ranging from 3.14–3.72 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent U3+ and three equivalent Ho3+ atoms. In the second Te2- site, Te2- is bonded to three equivalent U3+ and two equivalent Ho3+ atoms to form distorted TeHo2U3 square pyramids that share corners with eight equivalent TeHo3U2 trigonal bipyramids, edges with four equivalent TeHo2U3 square pyramids, and edges with two equivalent TeHo3U2 trigonal bipyramids. In the third Te2- site, Te2- is bonded to two equivalent U3+ and three equivalent Ho3+ atoms to form distorted TeHo3U2 trigonal bipyramids that share corners with eight equivalent TeHo2U3 square pyramids, edges with two equivalent TeHo2U3 square pyramids, and edges with four equivalent TeHo3U2 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1224261

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; HoUTe3; Ho-Te-U

OSTI Identifier:: 1753509

DOI:: https://doi.org/10.17188/1753509

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                    The Materials Project. Materials Data on HoUTe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753509.

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                    The Materials Project. Materials Data on HoUTe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753509

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                    The Materials Project. 2020.  
"Materials Data on HoUTe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753509.  https://www.osti.gov/servlets/purl/1753509. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1753509,

  title        = {Materials Data on HoUTe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UHoTe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U3+ is bonded to seven Te2- atoms to form a mixture of distorted edge and corner-sharing UTe7 pentagonal bipyramids. There are a spread of U–Te bond distances ranging from 3.10–3.19 Å. Ho3+ is bonded in a 7-coordinate geometry to eight Te2- atoms. There are a spread of Ho–Te bond distances ranging from 3.14–3.72 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent U3+ and three equivalent Ho3+ atoms. In the second Te2- site, Te2- is bonded to three equivalent U3+ and two equivalent Ho3+ atoms to form distorted TeHo2U3 square pyramids that share corners with eight equivalent TeHo3U2 trigonal bipyramids, edges with four equivalent TeHo2U3 square pyramids, and edges with two equivalent TeHo3U2 trigonal bipyramids. In the third Te2- site, Te2- is bonded to two equivalent U3+ and three equivalent Ho3+ atoms to form distorted TeHo3U2 trigonal bipyramids that share corners with eight equivalent TeHo2U3 square pyramids, edges with two equivalent TeHo2U3 square pyramids, and edges with four equivalent TeHo3U2 trigonal bipyramids.},

  doi          = {10.17188/1753509},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1753509

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