Materials Data on V12Ag5O32 by Materials Project

doi:10.17188/1749270

Title: Materials Data on V12Ag5O32 by Materials Project

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Abstract

V12Ag5O32 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are nine inequivalent V+4.92+ sites. In the first V+4.92+ site, V+4.92+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.02 Å. In the second V+4.92+ site, V+4.92+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.01 Å. In the third V+4.92+ site, V+4.92+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.02 Å. In the fourth V+4.92+ site, V+4.92+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.28 Å. In the fifth V+4.92+ site, V+4.92+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.28 Å. In the sixth V+4.92+ site, V+4.92+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.31 Å. In the seventh V+4.92+ site, V+4.92+ is bonded in a 6-coordinate geometry to sixmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1216989

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; V12Ag5O32; Ag-O-V

OSTI Identifier:: 1749270

DOI:: https://doi.org/10.17188/1749270

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                    The Materials Project. Materials Data on V12Ag5O32 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749270.

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                    The Materials Project. Materials Data on V12Ag5O32 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749270

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                    The Materials Project. 2020.  
"Materials Data on V12Ag5O32 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749270.  https://www.osti.gov/servlets/purl/1749270. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1749270,

  title        = {Materials Data on V12Ag5O32 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V12Ag5O32 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are nine inequivalent V+4.92+ sites. In the first V+4.92+ site, V+4.92+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.02 Å. In the second V+4.92+ site, V+4.92+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.01 Å. In the third V+4.92+ site, V+4.92+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.02 Å. In the fourth V+4.92+ site, V+4.92+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.28 Å. In the fifth V+4.92+ site, V+4.92+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.28 Å. In the sixth V+4.92+ site, V+4.92+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.31 Å. In the seventh V+4.92+ site, V+4.92+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.40 Å. In the eighth V+4.92+ site, V+4.92+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.67–2.37 Å. In the ninth V+4.92+ site, V+4.92+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.41 Å. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six O2- atoms to form edge-sharing AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.46–2.54 Å. In the second Ag1+ site, Ag1+ is bonded to six O2- atoms to form edge-sharing AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.45–2.55 Å. In the third Ag1+ site, Ag1+ is bonded to six O2- atoms to form edge-sharing AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.46–2.53 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.23–2.77 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.92+ and one Ag1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.92+ and one Ag1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.92+ and one Ag1+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two V+4.92+ and one Ag1+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two V+4.92+ and one Ag1+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two V+4.92+ and one Ag1+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two V+4.92+ and one Ag1+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two V+4.92+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two V+4.92+ and one Ag1+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.92+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.92+ atoms. In the twelfth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.92+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.92+ atoms. In the fourteenth O2- site, O2- is bonded in a 3-coordinate geometry to three V+4.92+ atoms. In the fifteenth O2- site, O2- is bonded in a 3-coordinate geometry to three V+4.92+ atoms. In the sixteenth O2- site, O2- is bonded in a 2-coordinate geometry to four V+4.92+ atoms. In the seventeenth O2- site, O2- is bonded in a 2-coordinate geometry to four V+4.92+ atoms. In the eighteenth O2- site, O2- is bonded in a 2-coordinate geometry to four V+4.92+ atoms. In the nineteenth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.92+ and two equivalent Ag1+ atoms. In the twentieth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.92+ and two equivalent Ag1+ atoms. In the twenty-first O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.92+ and two Ag1+ atoms. In the twenty-second O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.92+ and two equivalent Ag1+ atoms. In the twenty-third O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.92+ and three Ag1+ atoms. In the twenty-fourth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.92+ and two Ag1+ atoms.},

  doi          = {10.17188/1749270},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1749270

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