Materials Data on USeO5 by Materials Project

doi:10.17188/1201916

Title: Materials Data on USeO5 by Materials Project

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Abstract

UO2SeO3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one UO2SeO3 sheet oriented in the (0, 0, 1) direction. U6+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.80–2.51 Å. Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. All Se–O bond lengths are 1.74 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one Se4+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-27723

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; USeO5; O-Se-U

OSTI Identifier:: 1201916

DOI:: https://doi.org/10.17188/1201916

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                    The Materials Project. Materials Data on USeO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201916.

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                    The Materials Project. Materials Data on USeO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201916

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                    The Materials Project. 2020.  
"Materials Data on USeO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201916.  https://www.osti.gov/servlets/purl/1201916. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1201916,

  title        = {Materials Data on USeO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UO2SeO3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one UO2SeO3 sheet oriented in the (0, 0, 1) direction. U6+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.80–2.51 Å. Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. All Se–O bond lengths are 1.74 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one Se4+ atom.},

  doi          = {10.17188/1201916},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1201916

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