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Title: Materials Data on V5BiO10 by Materials Project

Abstract

V5BiO10 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty inequivalent V+3.40+ sites. In the first V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°. There are a spread of V–O bond distances ranging from 1.84–2.08 Å. In the second V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 45–53°. There are a spread of V–O bond distances ranging from 1.87–2.08 Å. In the third V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. There are a spread of V–O bond distances ranging from 1.82–2.09 Å. In the fourth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of V–O bond distances ranging from 1.85–2.06 Å. In the fifth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to formmore » a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are a spread of V–O bond distances ranging from 1.97–2.12 Å. In the sixth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 45–51°. There are a spread of V–O bond distances ranging from 1.82–2.05 Å. In the seventh V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–51°. There are a spread of V–O bond distances ranging from 1.87–2.08 Å. In the eighth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of V–O bond distances ranging from 1.94–2.10 Å. In the ninth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of V–O bond distances ranging from 1.95–2.10 Å. In the tenth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–56°. There are a spread of V–O bond distances ranging from 1.94–2.11 Å. In the eleventh V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of V–O bond distances ranging from 1.85–2.08 Å. In the twelfth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are a spread of V–O bond distances ranging from 1.95–2.12 Å. In the thirteenth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–53°. There are a spread of V–O bond distances ranging from 1.82–2.07 Å. In the fourteenth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of V–O bond distances ranging from 1.92–2.10 Å. In the fifteenth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of V–O bond distances ranging from 1.86–2.10 Å. In the sixteenth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of V–O bond distances ranging from 1.82–2.04 Å. In the seventeenth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There are a spread of V–O bond distances ranging from 1.78–2.09 Å. In the eighteenth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of V–O bond distances ranging from 1.95–2.13 Å. In the nineteenth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of V–O bond distances ranging from 1.81–2.07 Å. In the twentieth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–56°. There are a spread of V–O bond distances ranging from 1.97–2.08 Å. There are four inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.40–2.54 Å. In the second Bi3+ site, Bi3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.43–2.52 Å. In the third Bi3+ site, Bi3+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.36–2.60 Å. In the fourth Bi3+ site, Bi3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.40–2.57 Å. There are forty inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three V+3.40+ and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three V+3.40+ and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the eleventh O2- site, O2- is bonded in a trigonal planar geometry to three V+3.40+ atoms. In the twelfth O2- site, O2- is bonded in a trigonal planar geometry to three V+3.40+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the fifteenth O2- site, O2- is bonded in a trigonal planar geometry to three V+3.40+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three V+3.40+ and one Bi3+ atom. In the seventeenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three V+3.40+ and one Bi3+ atom. In the eighteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the nineteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the twentieth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to three V+3.40+ and one Bi3+ atom. In the twenty-first O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom. In the twenty-second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three V+3.40+ and one Bi3+ atom. In the twenty-third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+3.40+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom. In the twenty-fifth O2- site, O2- is bonded in a trigonal planar geometry to three V+3.40+ atoms. In the twenty-sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the twenty-seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the twenty-eighth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three V+3.40+ atoms. In the twenty-ninth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three V+3.40+ and one Bi3+ atom. In the thirtieth O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom. In the thirty-first O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the thirty-second O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the thirty-third O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the thirty-fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the thirty-fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+3.40+ atoms. In the thirty-sixth O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom. In the thirty-seventh O2- site, O2- is bonded in a trigonal planar geometry to three V+3.40+ atoms. In the thirty-eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the thirty-ninth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three V+3.40+ atoms. In the fortieth O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-768045
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; V5BiO10; Bi-O-V
OSTI Identifier:
1298153
DOI:
https://doi.org/10.17188/1298153

Citation Formats

The Materials Project. Materials Data on V5BiO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298153.
The Materials Project. Materials Data on V5BiO10 by Materials Project. United States. doi:https://doi.org/10.17188/1298153
The Materials Project. 2020. "Materials Data on V5BiO10 by Materials Project". United States. doi:https://doi.org/10.17188/1298153. https://www.osti.gov/servlets/purl/1298153. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1298153,
title = {Materials Data on V5BiO10 by Materials Project},
author = {The Materials Project},
abstractNote = {V5BiO10 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty inequivalent V+3.40+ sites. In the first V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°. There are a spread of V–O bond distances ranging from 1.84–2.08 Å. In the second V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 45–53°. There are a spread of V–O bond distances ranging from 1.87–2.08 Å. In the third V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. There are a spread of V–O bond distances ranging from 1.82–2.09 Å. In the fourth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of V–O bond distances ranging from 1.85–2.06 Å. In the fifth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are a spread of V–O bond distances ranging from 1.97–2.12 Å. In the sixth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 45–51°. There are a spread of V–O bond distances ranging from 1.82–2.05 Å. In the seventh V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–51°. There are a spread of V–O bond distances ranging from 1.87–2.08 Å. In the eighth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of V–O bond distances ranging from 1.94–2.10 Å. In the ninth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of V–O bond distances ranging from 1.95–2.10 Å. In the tenth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–56°. There are a spread of V–O bond distances ranging from 1.94–2.11 Å. In the eleventh V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of V–O bond distances ranging from 1.85–2.08 Å. In the twelfth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are a spread of V–O bond distances ranging from 1.95–2.12 Å. In the thirteenth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–53°. There are a spread of V–O bond distances ranging from 1.82–2.07 Å. In the fourteenth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of V–O bond distances ranging from 1.92–2.10 Å. In the fifteenth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of V–O bond distances ranging from 1.86–2.10 Å. In the sixteenth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of V–O bond distances ranging from 1.82–2.04 Å. In the seventeenth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There are a spread of V–O bond distances ranging from 1.78–2.09 Å. In the eighteenth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of V–O bond distances ranging from 1.95–2.13 Å. In the nineteenth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of V–O bond distances ranging from 1.81–2.07 Å. In the twentieth V+3.40+ site, V+3.40+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 46–56°. There are a spread of V–O bond distances ranging from 1.97–2.08 Å. There are four inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.40–2.54 Å. In the second Bi3+ site, Bi3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.43–2.52 Å. In the third Bi3+ site, Bi3+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.36–2.60 Å. In the fourth Bi3+ site, Bi3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.40–2.57 Å. There are forty inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three V+3.40+ and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three V+3.40+ and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the eleventh O2- site, O2- is bonded in a trigonal planar geometry to three V+3.40+ atoms. In the twelfth O2- site, O2- is bonded in a trigonal planar geometry to three V+3.40+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the fifteenth O2- site, O2- is bonded in a trigonal planar geometry to three V+3.40+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three V+3.40+ and one Bi3+ atom. In the seventeenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three V+3.40+ and one Bi3+ atom. In the eighteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the nineteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the twentieth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to three V+3.40+ and one Bi3+ atom. In the twenty-first O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom. In the twenty-second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three V+3.40+ and one Bi3+ atom. In the twenty-third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+3.40+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom. In the twenty-fifth O2- site, O2- is bonded in a trigonal planar geometry to three V+3.40+ atoms. In the twenty-sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the twenty-seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the twenty-eighth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three V+3.40+ atoms. In the twenty-ninth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three V+3.40+ and one Bi3+ atom. In the thirtieth O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom. In the thirty-first O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the thirty-second O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the thirty-third O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the thirty-fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the thirty-fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+3.40+ atoms. In the thirty-sixth O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom. In the thirty-seventh O2- site, O2- is bonded in a trigonal planar geometry to three V+3.40+ atoms. In the thirty-eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.40+ atoms. In the thirty-ninth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three V+3.40+ atoms. In the fortieth O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.40+ and one Bi3+ atom.},
doi = {10.17188/1298153},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}