Materials Data on Tl4V2O7 by Materials Project

doi:10.17188/1265075

Title: Materials Data on Tl4V2O7 by Materials Project

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Abstract

V2Tl4O7 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is three shorter (1.73 Å) and one longer (1.83 Å) V–O bond length. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.88 Å) and six longer (3.21 Å) Tl–O bond lengths. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Tl–O bond lengths are 2.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and four Tl1+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-541368

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; Tl4V2O7; O-Tl-V

OSTI Identifier:: 1265075

DOI:: https://doi.org/10.17188/1265075

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                    The Materials Project. Materials Data on Tl4V2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1265075.

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                    The Materials Project. Materials Data on Tl4V2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1265075

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                    The Materials Project. 2020.  
"Materials Data on Tl4V2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1265075.  https://www.osti.gov/servlets/purl/1265075. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1265075,

  title        = {Materials Data on Tl4V2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2Tl4O7 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is three shorter (1.73 Å) and one longer (1.83 Å) V–O bond length. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.88 Å) and six longer (3.21 Å) Tl–O bond lengths. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Tl–O bond lengths are 2.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and four Tl1+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms.},

  doi          = {10.17188/1265075},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1265075

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