U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V6O13 by Materials Project
Abstract
V6O13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent V+4.33+ sites. In the first V+4.33+ site, V+4.33+ 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 0–27°. There are a spread of V–O bond distances ranging from 1.81–2.03 Å. In the second V+4.33+ site, V+4.33+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.70–2.25 Å. In the third V+4.33+ site, V+4.33+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.67–2.26 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.33+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent V+4.33+ atoms. In the third O2- site, O2- is bonded to four V+4.33+ atoms to form a mixture of distorted edge and corner-sharing OV4 tetrahedra. In the fourth O2- site, O2- is bonded in a linear geometry to two V+4.33+ atoms. In the fifth O2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-18896
- 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; V6O13; O-V
- OSTI Identifier:
- 1193598
- DOI:
- https://doi.org/10.17188/1193598
Citation Formats
The Materials Project. Materials Data on V6O13 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1193598.
The Materials Project. Materials Data on V6O13 by Materials Project. United States. doi:https://doi.org/10.17188/1193598
The Materials Project. 2019.
"Materials Data on V6O13 by Materials Project". United States. doi:https://doi.org/10.17188/1193598. https://www.osti.gov/servlets/purl/1193598. Pub date:Wed Aug 28 00:00:00 EDT 2019
@article{osti_1193598,
title = {Materials Data on V6O13 by Materials Project},
author = {The Materials Project},
abstractNote = {V6O13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent V+4.33+ sites. In the first V+4.33+ site, V+4.33+ 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 0–27°. There are a spread of V–O bond distances ranging from 1.81–2.03 Å. In the second V+4.33+ site, V+4.33+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.70–2.25 Å. In the third V+4.33+ site, V+4.33+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.67–2.26 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.33+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent V+4.33+ atoms. In the third O2- site, O2- is bonded to four V+4.33+ atoms to form a mixture of distorted edge and corner-sharing OV4 tetrahedra. In the fourth O2- site, O2- is bonded in a linear geometry to two V+4.33+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three V+4.33+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two V+4.33+ atoms. In the seventh O2- site, O2- is bonded in a linear geometry to two equivalent V+4.33+ atoms.},
doi = {10.17188/1193598},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {8}
}