U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VZnO2 by Materials Project
Abstract
VZnO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent V2+ sites. In the first V2+ site, V2+ 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 49–51°. There are a spread of V–O bond distances ranging from 1.99–2.19 Å. In the second V2+ site, V2+ 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 49–51°. There are a spread of V–O bond distances ranging from 2.04–2.21 Å. In the third V2+ site, V2+ 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 49–51°. There are a spread of V–O bond distances ranging from 2.04–2.19 Å. In the fourth V2+ site, V2+ 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 49–51°. There are a spread of V–O bond distances ranging from 1.99–2.19 Å. There are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-12242
- 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; VZnO2; O-V-Zn
- OSTI Identifier:
- 1318498
- DOI:
- https://doi.org/10.17188/1318498
Citation Formats
The Materials Project. Materials Data on VZnO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318498.
The Materials Project. Materials Data on VZnO2 by Materials Project. United States. doi:https://doi.org/10.17188/1318498
The Materials Project. 2020.
"Materials Data on VZnO2 by Materials Project". United States. doi:https://doi.org/10.17188/1318498. https://www.osti.gov/servlets/purl/1318498. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1318498,
title = {Materials Data on VZnO2 by Materials Project},
author = {The Materials Project},
abstractNote = {VZnO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent V2+ sites. In the first V2+ site, V2+ 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 49–51°. There are a spread of V–O bond distances ranging from 1.99–2.19 Å. In the second V2+ site, V2+ 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 49–51°. There are a spread of V–O bond distances ranging from 2.04–2.21 Å. In the third V2+ site, V2+ 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 49–51°. There are a spread of V–O bond distances ranging from 2.04–2.19 Å. In the fourth V2+ site, V2+ 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 49–51°. There are a spread of V–O bond distances ranging from 1.99–2.19 Å. There are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Zn–O bond distances ranging from 1.97–2.50 Å. In the second Zn2+ site, Zn2+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Zn–O bond distances ranging from 1.98–2.52 Å. In the third Zn2+ site, Zn2+ is bonded in a distorted single-bond geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 2.00–2.70 Å. In the fourth Zn2+ site, Zn2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 2.00–2.67 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to three V2+ and one Zn2+ atom to form distorted corner-sharing OV3Zn trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three V2+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three V2+ and two equivalent Zn2+ atoms. In the fourth O2- site, O2- is bonded to three V2+ and one Zn2+ atom to form distorted corner-sharing OV3Zn trigonal pyramids. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three V2+ and one Zn2+ atom. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to three V2+ and three Zn2+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three V2+ and one Zn2+ atom. In the eighth O2- site, O2- is bonded in a 6-coordinate geometry to three V2+ and three Zn2+ atoms.},
doi = {10.17188/1318498},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}