U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb2Zr(IO3)6 by Materials Project
Abstract
Rb2Zr(O3I)6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 3.09–3.13 Å. Zr4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Zr–O bond lengths are 2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one I5+ atom. The O–I bond length is 1.83 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one I5+ atom. The O–I bond length is 1.82 Å. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Zr4+, and one I5+ atom. The O–I bond length is 1.88 Å. I5+ is bonded in a 5-coordinate geometry to three O2- atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-560365
- 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; Rb2Zr(IO3)6; I-O-Rb-Zr
- OSTI Identifier:
- 1271429
- DOI:
- https://doi.org/10.17188/1271429
Citation Formats
The Materials Project. Materials Data on Rb2Zr(IO3)6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271429.
The Materials Project. Materials Data on Rb2Zr(IO3)6 by Materials Project. United States. doi:https://doi.org/10.17188/1271429
The Materials Project. 2020.
"Materials Data on Rb2Zr(IO3)6 by Materials Project". United States. doi:https://doi.org/10.17188/1271429. https://www.osti.gov/servlets/purl/1271429. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1271429,
title = {Materials Data on Rb2Zr(IO3)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2Zr(O3I)6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 3.09–3.13 Å. Zr4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Zr–O bond lengths are 2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one I5+ atom. The O–I bond length is 1.83 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one I5+ atom. The O–I bond length is 1.82 Å. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Zr4+, and one I5+ atom. The O–I bond length is 1.88 Å. I5+ is bonded in a 5-coordinate geometry to three O2- atoms.},
doi = {10.17188/1271429},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}