U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li(ReO3)4 by Materials Project
Abstract
Li(ReO3)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Li1+ is bonded in a distorted square co-planar geometry to eight O2- atoms. There are four shorter (2.23 Å) and four longer (2.69 Å) Li–O bond lengths. Re+5.75+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 21–25°. There are a spread of Re–O bond distances ranging from 1.90–1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+ and two equivalent Re+5.75+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and two equivalent Re+5.75+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re+5.75+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-756519
- 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; Li(ReO3)4; Li-O-Re
- OSTI Identifier:
- 1290544
- DOI:
- https://doi.org/10.17188/1290544
Citation Formats
The Materials Project. Materials Data on Li(ReO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290544.
The Materials Project. Materials Data on Li(ReO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1290544
The Materials Project. 2020.
"Materials Data on Li(ReO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1290544. https://www.osti.gov/servlets/purl/1290544. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290544,
title = {Materials Data on Li(ReO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li(ReO3)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Li1+ is bonded in a distorted square co-planar geometry to eight O2- atoms. There are four shorter (2.23 Å) and four longer (2.69 Å) Li–O bond lengths. Re+5.75+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 21–25°. There are a spread of Re–O bond distances ranging from 1.90–1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+ and two equivalent Re+5.75+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and two equivalent Re+5.75+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re+5.75+ atoms.},
doi = {10.17188/1290544},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}