Materials Data on V4AgO10 by Materials Project

doi:10.17188/1656231

Title: Materials Data on V4AgO10 by Materials Project

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Abstract

V4AgO10 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent V+4.75+ sites. In the first V+4.75+ site, V+4.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.51 Å. In the second V+4.75+ site, V+4.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.39 Å. In the third V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.99 Å. In the fourth V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.02 Å. Ag1+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.43–3.05 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the third O2- site, O2- ismore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1216506

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; V4AgO10; Ag-O-V

OSTI Identifier:: 1656231

DOI:: https://doi.org/10.17188/1656231

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                    The Materials Project. Materials Data on V4AgO10 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1656231.

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                    The Materials Project. Materials Data on V4AgO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1656231

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                    The Materials Project. 2019.  
"Materials Data on V4AgO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1656231.  https://www.osti.gov/servlets/purl/1656231. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1656231,

  title        = {Materials Data on V4AgO10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V4AgO10 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent V+4.75+ sites. In the first V+4.75+ site, V+4.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.51 Å. In the second V+4.75+ site, V+4.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.39 Å. In the third V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.99 Å. In the fourth V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.02 Å. Ag1+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.43–3.05 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three V+4.75+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three V+4.75+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one V+4.75+ and two equivalent Ag1+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.75+ and two equivalent Ag1+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.75+ and two equivalent Ag1+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.75+ and one Ag1+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to three V+4.75+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three V+4.75+ atoms.},

  doi          = {10.17188/1656231},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1656231

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