U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Yb5(ReO6)2 by Materials Project
Abstract
Yb5(ReO6)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.30–2.54 Å. In the second Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.27–2.54 Å. In the third Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with four equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are four shorter (2.32 Å) and two longer (2.35 Å) Yb–O bond lengths. Re+4.50+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent YbO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of Re–O bond distances ranging from 1.84–2.03 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Yb3+ and two equivalent Re+4.50+ atoms. In the second O2- site, O2- is bonded in amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1207623
- 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; Yb5(ReO6)2; O-Re-Yb
- OSTI Identifier:
- 1689763
- DOI:
- https://doi.org/10.17188/1689763
Citation Formats
The Materials Project. Materials Data on Yb5(ReO6)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1689763.
The Materials Project. Materials Data on Yb5(ReO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1689763
The Materials Project. 2020.
"Materials Data on Yb5(ReO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1689763. https://www.osti.gov/servlets/purl/1689763. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1689763,
title = {Materials Data on Yb5(ReO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb5(ReO6)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.30–2.54 Å. In the second Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.27–2.54 Å. In the third Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with four equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are four shorter (2.32 Å) and two longer (2.35 Å) Yb–O bond lengths. Re+4.50+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent YbO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of Re–O bond distances ranging from 1.84–2.03 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Yb3+ and two equivalent Re+4.50+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one Re+4.50+ atom. In the third O2- site, O2- is bonded to two Yb3+ and two equivalent Re+4.50+ atoms to form distorted OYb2Re2 tetrahedra that share corners with six equivalent OYb4 tetrahedra and an edgeedge with one OYb2Re2 tetrahedra. In the fourth O2- site, O2- is bonded to four Yb3+ atoms to form OYb4 tetrahedra that share corners with seven OYb2Re2 tetrahedra and edges with three equivalent OYb4 tetrahedra.},
doi = {10.17188/1689763},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}