Materials Data on UAs2 by Materials Project

doi:10.17188/1192037

Title: Materials Data on UAs2 by Materials Project

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Abstract

UAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U6+ is bonded in a 9-coordinate geometry to nine As3- atoms. There are a spread of U–As bond distances ranging from 2.87–3.03 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent U6+ and four equivalent As3- atoms. All As–As bond lengths are 2.80 Å. In the second As3- site, As3- is bonded to five equivalent U6+ atoms to form a mixture of distorted edge and corner-sharing AsU5 square pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1657

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; UAs2; As-U

OSTI Identifier:: 1192037

DOI:: https://doi.org/10.17188/1192037

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                    The Materials Project. Materials Data on UAs2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192037.

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                    The Materials Project. Materials Data on UAs2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192037

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                    The Materials Project. 2020.  
"Materials Data on UAs2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192037.  https://www.osti.gov/servlets/purl/1192037. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1192037,

  title        = {Materials Data on UAs2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U6+ is bonded in a 9-coordinate geometry to nine As3- atoms. There are a spread of U–As bond distances ranging from 2.87–3.03 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent U6+ and four equivalent As3- atoms. All As–As bond lengths are 2.80 Å. In the second As3- site, As3- is bonded to five equivalent U6+ atoms to form a mixture of distorted edge and corner-sharing AsU5 square pyramids.},

  doi          = {10.17188/1192037},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192037

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