Materials Data on U2V2O11 by Materials Project

doi:10.17188/1262396

Title: Materials Data on U2V2O11 by Materials Project

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Abstract

(UO2)2(V2O7) crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.79–2.61 Å. V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.71–1.80 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one U6+ and one V5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent U6+ and one V5+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent U6+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-505253

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; U2V2O11; O-U-V

OSTI Identifier:: 1262396

DOI:: https://doi.org/10.17188/1262396

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                    The Materials Project. Materials Data on U2V2O11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262396.

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                    The Materials Project. Materials Data on U2V2O11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262396

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                    The Materials Project. 2020.  
"Materials Data on U2V2O11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262396.  https://www.osti.gov/servlets/purl/1262396. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1262396,

  title        = {Materials Data on U2V2O11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(UO2)2(V2O7) crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.79–2.61 Å. V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.71–1.80 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one U6+ and one V5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent U6+ and one V5+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent U6+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.},

  doi          = {10.17188/1262396},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262396

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