U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K(IO3)2 by Materials Project
Abstract
K(O3I)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.77–3.22 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one K and one I atom. The O–I bond length is 1.84 Å. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent K and one I atom. The O–I bond length is 1.83 Å. In the third O site, O is bonded in a distorted single-bond geometry to one K and one I atom. The O–I bond length is 1.84 Å. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to two equivalent K and one I atom. The O–I bond length is 1.84 Å. In the fifth O site, O is bonded in a 1-coordinate geometry to two equivalent K and two I atoms. There are one shorter (1.83 Å) and one longer (2.72 Å) O–I bond lengths. In the sixth O site, O is bonded in a distorted bent 120 degreesmore »
- Publication Date:
- Other Number(s):
- mp-1199086
- 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; crystal structure; I-K-O; K(IO3)2
- OSTI Identifier:
- 1716958
- DOI:
- https://doi.org/10.17188/1716958
Citation Formats
Materials Data on K(IO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1716958.
Materials Data on K(IO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1716958
2020.
"Materials Data on K(IO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1716958. https://www.osti.gov/servlets/purl/1716958. Pub date:Fri May 01 20:00:00 EDT 2020
@article{osti_1716958,
title = {Materials Data on K(IO3)2 by Materials Project},
abstractNote = {K(O3I)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.77–3.22 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one K and one I atom. The O–I bond length is 1.84 Å. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent K and one I atom. The O–I bond length is 1.83 Å. In the third O site, O is bonded in a distorted single-bond geometry to one K and one I atom. The O–I bond length is 1.84 Å. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to two equivalent K and one I atom. The O–I bond length is 1.84 Å. In the fifth O site, O is bonded in a 1-coordinate geometry to two equivalent K and two I atoms. There are one shorter (1.83 Å) and one longer (2.72 Å) O–I bond lengths. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one K and one I atom. The O–I bond length is 1.86 Å. There are two inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to four O atoms. In the second I site, I is bonded in a 3-coordinate geometry to three O atoms.},
doi = {10.17188/1716958},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}