U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbAu(IO3)4 by Materials Project
Abstract
RbAu(O3I)4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.57 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.03 Å) Au–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one Au3+, and one I5+ atom. The O–I bond length is 1.92 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and two I5+ atoms. There are one shorter (1.81 Å) and one longer (2.59 Å) O–I bond lengths. In the third 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 fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one I5+ atom. The O–I bond length is 1.81 Å. In the fifth O2- site, O2- is bonded in a distorted single-bond geometrymore »
- Publication Date:
- Other Number(s):
- mp-1188141
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Au-I-O-Rb; RbAu(IO3)4; crystal structure
- OSTI Identifier:
- 1698876
- DOI:
- https://doi.org/10.17188/1698876
Citation Formats
Materials Data on RbAu(IO3)4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1698876.
Materials Data on RbAu(IO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1698876
2019.
"Materials Data on RbAu(IO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1698876. https://www.osti.gov/servlets/purl/1698876. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1698876,
title = {Materials Data on RbAu(IO3)4 by Materials Project},
abstractNote = {RbAu(O3I)4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.57 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.03 Å) Au–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one Au3+, and one I5+ atom. The O–I bond length is 1.92 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and two I5+ atoms. There are one shorter (1.81 Å) and one longer (2.59 Å) O–I bond lengths. In the third 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 fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one I5+ atom. The O–I bond length is 1.81 Å. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.82 Å. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Rb1+, one Au3+, and one I5+ atom. The O–I bond length is 1.93 Å. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to three O2- atoms. In the second I5+ site, I5+ is bonded in a 4-coordinate geometry to four O2- atoms.},
doi = {10.17188/1698876},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}