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Title: Materials Data on V7O13 by Materials Project

Abstract

V7O13 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are fourteen inequivalent V+3.71+ sites. In the first V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There are a spread of V–O bond distances ranging from 1.89–2.06 Å. In the second V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of V–O bond distances ranging from 1.97–2.08 Å. In the third V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of V–O bond distances ranging from 1.92–2.01 Å. In the fourth V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–54°. There are a spread of V–O bond distances ranging from 1.87–2.01 Å. In the fifth V+3.71+ site, V+3.71+ is bonded to six O2- atoms to formmore » a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 41–54°. There are a spread of V–O bond distances ranging from 1.88–2.13 Å. In the sixth V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 39–51°. There are a spread of V–O bond distances ranging from 1.92–2.03 Å. In the seventh V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 41–61°. There are a spread of V–O bond distances ranging from 1.77–2.18 Å. In the eighth V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 39–61°. There are a spread of V–O bond distances ranging from 1.79–2.16 Å. In the ninth V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–61°. There are a spread of V–O bond distances ranging from 1.95–2.11 Å. In the tenth V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 43–61°. There are a spread of V–O bond distances ranging from 1.97–2.14 Å. In the eleventh V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of V–O bond distances ranging from 1.75–2.13 Å. In the twelfth V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of distorted face, edge, and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 45–53°. There are a spread of V–O bond distances ranging from 1.90–2.12 Å. In the thirteenth V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of distorted face, edge, and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 44–57°. There are a spread of V–O bond distances ranging from 1.75–2.18 Å. In the fourteenth V+3.71+ site, V+3.71+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.79–2.19 Å. There are twenty-six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three V+3.71+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to three V+3.71+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to three V+3.71+ atoms. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to three V+3.71+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the fifteenth O2- site, O2- is bonded to four V+3.71+ atoms to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the sixteenth O2- site, O2- is bonded to four V+3.71+ atoms to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the seventeenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the eighteenth O2- site, O2- is bonded in a 3-coordinate geometry to three V+3.71+ atoms. In the nineteenth O2- site, O2- is bonded to four V+3.71+ atoms to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the twentieth O2- site, O2- is bonded to four V+3.71+ atoms to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the twenty-first O2- site, O2- is bonded in a trigonal planar geometry to three V+3.71+ atoms. In the twenty-second O2- site, O2- is bonded in a distorted see-saw-like geometry to four V+3.71+ atoms. In the twenty-third O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 3-coordinate geometry to three V+3.71+ atoms. In the twenty-fifth O2- site, O2- is bonded in a trigonal planar geometry to three V+3.71+ atoms. In the twenty-sixth O2- site, O2- is bonded to four V+3.71+ atoms to form distorted edge-sharing OV4 trigonal pyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-715598
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; V7O13; O-V
OSTI Identifier:
1287068
DOI:
https://doi.org/10.17188/1287068

Citation Formats

The Materials Project. Materials Data on V7O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287068.
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The Materials Project. Materials Data on V7O13 by Materials Project. United States. doi:https://doi.org/10.17188/1287068
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The Materials Project. 2020. "Materials Data on V7O13 by Materials Project". United States. doi:https://doi.org/10.17188/1287068. https://www.osti.gov/servlets/purl/1287068. Pub date:Fri Jun 05 00:00:00 EDT 2020
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@article{osti_1287068,
title = {Materials Data on V7O13 by Materials Project},
author = {The Materials Project},
abstractNote = {V7O13 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are fourteen inequivalent V+3.71+ sites. In the first V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There are a spread of V–O bond distances ranging from 1.89–2.06 Å. In the second V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of V–O bond distances ranging from 1.97–2.08 Å. In the third V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of V–O bond distances ranging from 1.92–2.01 Å. In the fourth V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–54°. There are a spread of V–O bond distances ranging from 1.87–2.01 Å. In the fifth V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 41–54°. There are a spread of V–O bond distances ranging from 1.88–2.13 Å. In the sixth V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 39–51°. There are a spread of V–O bond distances ranging from 1.92–2.03 Å. In the seventh V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 41–61°. There are a spread of V–O bond distances ranging from 1.77–2.18 Å. In the eighth V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 39–61°. There are a spread of V–O bond distances ranging from 1.79–2.16 Å. In the ninth V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–61°. There are a spread of V–O bond distances ranging from 1.95–2.11 Å. In the tenth V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 43–61°. There are a spread of V–O bond distances ranging from 1.97–2.14 Å. In the eleventh V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of V–O bond distances ranging from 1.75–2.13 Å. In the twelfth V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of distorted face, edge, and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 45–53°. There are a spread of V–O bond distances ranging from 1.90–2.12 Å. In the thirteenth V+3.71+ site, V+3.71+ is bonded to six O2- atoms to form a mixture of distorted face, edge, and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 44–57°. There are a spread of V–O bond distances ranging from 1.75–2.18 Å. In the fourteenth V+3.71+ site, V+3.71+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.79–2.19 Å. There are twenty-six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three V+3.71+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to three V+3.71+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to three V+3.71+ atoms. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to three V+3.71+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the fifteenth O2- site, O2- is bonded to four V+3.71+ atoms to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the sixteenth O2- site, O2- is bonded to four V+3.71+ atoms to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the seventeenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the eighteenth O2- site, O2- is bonded in a 3-coordinate geometry to three V+3.71+ atoms. In the nineteenth O2- site, O2- is bonded to four V+3.71+ atoms to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the twentieth O2- site, O2- is bonded to four V+3.71+ atoms to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the twenty-first O2- site, O2- is bonded in a trigonal planar geometry to three V+3.71+ atoms. In the twenty-second O2- site, O2- is bonded in a distorted see-saw-like geometry to four V+3.71+ atoms. In the twenty-third O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.71+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 3-coordinate geometry to three V+3.71+ atoms. In the twenty-fifth O2- site, O2- is bonded in a trigonal planar geometry to three V+3.71+ atoms. In the twenty-sixth O2- site, O2- is bonded to four V+3.71+ atoms to form distorted edge-sharing OV4 trigonal pyramids.},
doi = {10.17188/1287068},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jun 05 00:00:00 EDT 2020},
month = {Fri Jun 05 00:00:00 EDT 2020}
}
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DOI: https://doi.org/10.17188/1287068
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