Materials Data on Yb2VO5 by Materials Project
Abstract
Yb2VO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Yb+2.50+ sites. In the first Yb+2.50+ site, Yb+2.50+ is bonded to six O2- atoms to form distorted YbO6 octahedra that share corners with four equivalent VO4 tetrahedra and edges with two equivalent YbO6 octahedra. There are a spread of Yb–O bond distances ranging from 2.29–2.47 Å. In the second Yb+2.50+ site, Yb+2.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.30–2.59 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent YbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–68°. There are a spread of V–O bond distances ranging from 1.72–1.76 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Yb+2.50+ and one V5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb+2.50+ and one V5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four Yb+2.50+ atoms. In the fourth O2- site, O2- is bonded in amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199587
- 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; Yb2VO5; O-V-Yb
- OSTI Identifier:
- 1758680
- DOI:
- https://doi.org/10.17188/1758680
Citation Formats
The Materials Project. Materials Data on Yb2VO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1758680.
The Materials Project. Materials Data on Yb2VO5 by Materials Project. United States. doi:https://doi.org/10.17188/1758680
The Materials Project. 2020.
"Materials Data on Yb2VO5 by Materials Project". United States. doi:https://doi.org/10.17188/1758680. https://www.osti.gov/servlets/purl/1758680. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758680,
title = {Materials Data on Yb2VO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb2VO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Yb+2.50+ sites. In the first Yb+2.50+ site, Yb+2.50+ is bonded to six O2- atoms to form distorted YbO6 octahedra that share corners with four equivalent VO4 tetrahedra and edges with two equivalent YbO6 octahedra. There are a spread of Yb–O bond distances ranging from 2.29–2.47 Å. In the second Yb+2.50+ site, Yb+2.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.30–2.59 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent YbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–68°. There are a spread of V–O bond distances ranging from 1.72–1.76 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Yb+2.50+ and one V5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb+2.50+ and one V5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four Yb+2.50+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Yb+2.50+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Yb+2.50+ and one V5+ atom.},
doi = {10.17188/1758680},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Sep 03 00:00:00 EDT 2020},
month = {Thu Sep 03 00:00:00 EDT 2020}
}