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Title: Materials Data on V3O7 by Materials Project

Abstract

V3O7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eighteen inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.70–2.00 Å. In the second V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.70–2.01 Å. In the third V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of V–O bond distances ranging from 1.75–2.06 Å. In the fourth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.70–2.01 Å. In the fifth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.96 Å. In the sixth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.96 Å. Inmore » the seventh V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of V–O bond distances ranging from 1.76–2.05 Å. In the eighth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–1.97 Å. In the ninth V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of V–O bond distances ranging from 1.75–2.07 Å. In the tenth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.96 Å. In the eleventh V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–1.97 Å. In the twelfth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.70–2.01 Å. In the thirteenth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.96 Å. In the fourteenth V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of V–O bond distances ranging from 1.75–2.07 Å. In the fifteenth V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of V–O bond distances ranging from 1.75–2.07 Å. In the sixteenth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–1.97 Å. In the seventeenth V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of V–O bond distances ranging from 1.76–2.05 Å. In the eighteenth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–1.97 Å. There are forty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two V+4.67+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the ninth O2- site, O2- is bonded in a distorted linear geometry to two V+4.67+ atoms. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the eleventh O2- site, O2- is bonded in a linear geometry to two equivalent V+4.67+ atoms. In the twelfth O2- site, O2- is bonded in a linear geometry to two equivalent V+4.67+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.67+ atoms. In the fourteenth O2- site, O2- is bonded in a linear geometry to two V+4.67+ atoms. In the fifteenth O2- site, O2- is bonded in a linear geometry to two V+4.67+ atoms. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the seventeenth O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the eighteenth O2- site, O2- is bonded in a linear geometry to two equivalent V+4.67+ atoms. In the nineteenth O2- site, O2- is bonded in a distorted linear geometry to two V+4.67+ atoms. In the twentieth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.67+ atoms. In the twenty-first O2- site, O2- is bonded in a linear geometry to two equivalent V+4.67+ atoms. In the twenty-second O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the twenty-third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the twenty-fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the twenty-fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the twenty-sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the twenty-seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the twenty-eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the twenty-ninth O2- site, O2- is bonded in a distorted linear geometry to two V+4.67+ atoms. In the thirtieth O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the thirty-first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the thirty-second O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.67+ atoms. In the thirty-third O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the thirty-fourth O2- site, O2- is bonded in a linear geometry to two equivalent V+4.67+ atoms. In the thirty-fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the thirty-sixth O2- site, O2- is bonded in a linear geometry to two V+4.67+ atoms. In the thirty-seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the thirty-eighth O2- site, O2- is bonded in a linear geometry to two equivalent V+4.67+ atoms. In the thirty-ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the fortieth O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the forty-first O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the forty-second O2- site, O2- is bonded in a distorted linear geometry to two V+4.67+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-622640
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; V3O7; O-V
OSTI Identifier:
1278155
DOI:
https://doi.org/10.17188/1278155

Citation Formats

The Materials Project. Materials Data on V3O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278155.
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The Materials Project. Materials Data on V3O7 by Materials Project. United States. doi:https://doi.org/10.17188/1278155
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The Materials Project. 2020. "Materials Data on V3O7 by Materials Project". United States. doi:https://doi.org/10.17188/1278155. https://www.osti.gov/servlets/purl/1278155. Pub date:Thu Apr 30 00:00:00 EDT 2020
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@article{osti_1278155,
title = {Materials Data on V3O7 by Materials Project},
author = {The Materials Project},
abstractNote = {V3O7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eighteen inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.70–2.00 Å. In the second V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.70–2.01 Å. In the third V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of V–O bond distances ranging from 1.75–2.06 Å. In the fourth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.70–2.01 Å. In the fifth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.96 Å. In the sixth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.96 Å. In the seventh V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of V–O bond distances ranging from 1.76–2.05 Å. In the eighth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–1.97 Å. In the ninth V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of V–O bond distances ranging from 1.75–2.07 Å. In the tenth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.96 Å. In the eleventh V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–1.97 Å. In the twelfth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.70–2.01 Å. In the thirteenth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.96 Å. In the fourteenth V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of V–O bond distances ranging from 1.75–2.07 Å. In the fifteenth V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of V–O bond distances ranging from 1.75–2.07 Å. In the sixteenth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–1.97 Å. In the seventeenth V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of V–O bond distances ranging from 1.76–2.05 Å. In the eighteenth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–1.97 Å. There are forty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two V+4.67+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the ninth O2- site, O2- is bonded in a distorted linear geometry to two V+4.67+ atoms. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the eleventh O2- site, O2- is bonded in a linear geometry to two equivalent V+4.67+ atoms. In the twelfth O2- site, O2- is bonded in a linear geometry to two equivalent V+4.67+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.67+ atoms. In the fourteenth O2- site, O2- is bonded in a linear geometry to two V+4.67+ atoms. In the fifteenth O2- site, O2- is bonded in a linear geometry to two V+4.67+ atoms. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the seventeenth O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the eighteenth O2- site, O2- is bonded in a linear geometry to two equivalent V+4.67+ atoms. In the nineteenth O2- site, O2- is bonded in a distorted linear geometry to two V+4.67+ atoms. In the twentieth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.67+ atoms. In the twenty-first O2- site, O2- is bonded in a linear geometry to two equivalent V+4.67+ atoms. In the twenty-second O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the twenty-third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the twenty-fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the twenty-fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the twenty-sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the twenty-seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the twenty-eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the twenty-ninth O2- site, O2- is bonded in a distorted linear geometry to two V+4.67+ atoms. In the thirtieth O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the thirty-first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the thirty-second O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.67+ atoms. In the thirty-third O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the thirty-fourth O2- site, O2- is bonded in a linear geometry to two equivalent V+4.67+ atoms. In the thirty-fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the thirty-sixth O2- site, O2- is bonded in a linear geometry to two V+4.67+ atoms. In the thirty-seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the thirty-eighth O2- site, O2- is bonded in a linear geometry to two equivalent V+4.67+ atoms. In the thirty-ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the fortieth O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the forty-first O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.67+ atoms. In the forty-second O2- site, O2- is bonded in a distorted linear geometry to two V+4.67+ atoms.},
doi = {10.17188/1278155},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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DOI: https://doi.org/10.17188/1278155
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