U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VBO4 by Materials Project
Abstract
VBO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four BO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.72–1.78 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four BO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.73–1.75 Å. In the third V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four BO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.72–1.77 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four VO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.48 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four VO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.49 Å. Inmore »
- Publication Date:
- Other Number(s):
- mp-771386
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; B-O-V; crystal structure; VBO4
- OSTI Identifier:
- 1300490
- DOI:
- https://doi.org/10.17188/1300490
Citation Formats
Materials Data on VBO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1300490.
Materials Data on VBO4 by Materials Project. United States. doi:https://doi.org/10.17188/1300490
2020.
"Materials Data on VBO4 by Materials Project". United States. doi:https://doi.org/10.17188/1300490. https://www.osti.gov/servlets/purl/1300490. Pub date:Wed Apr 29 20:00:00 EDT 2020
@article{osti_1300490,
title = {Materials Data on VBO4 by Materials Project},
abstractNote = {VBO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four BO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.72–1.78 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four BO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.73–1.75 Å. In the third V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four BO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.72–1.77 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four VO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.48 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four VO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.49 Å. In the third B3+ site, B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four VO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.50 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one B3+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one B3+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one B3+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one B3+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one B3+ atom. In the ninth O2- site, O2- is bonded in a linear geometry to one V5+ and one B3+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one B3+ atom. In the eleventh O2- site, O2- is bonded in a linear geometry to one V5+ and one B3+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one B3+ atom.},
doi = {10.17188/1300490},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}