U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KI(OF)2 by Materials Project
Abstract
KI(OF)2 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to four O2- and five F1- atoms. There are a spread of K–O bond distances ranging from 2.80–3.36 Å. There are a spread of K–F bond distances ranging from 2.70–3.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one I5+ atom. The O–I bond length is 1.81 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one I5+ atom. The O–I bond length is 1.80 Å. I5+ is bonded in a distorted rectangular see-saw-like geometry to two O2- and two F1- atoms. There are one shorter (2.04 Å) and one longer (2.07 Å) I–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to three equivalent K1+ and one I5+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one I5+ atom.
- Publication Date:
- Other Number(s):
- mp-558861
- 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; F-I-K-O; KI(OF)2
- OSTI Identifier:
- 1270532
- DOI:
- https://doi.org/10.17188/1270532
Citation Formats
Materials Data on KI(OF)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270532.
Materials Data on KI(OF)2 by Materials Project. United States. doi:https://doi.org/10.17188/1270532
2020.
"Materials Data on KI(OF)2 by Materials Project". United States. doi:https://doi.org/10.17188/1270532. https://www.osti.gov/servlets/purl/1270532. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1270532,
title = {Materials Data on KI(OF)2 by Materials Project},
abstractNote = {KI(OF)2 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to four O2- and five F1- atoms. There are a spread of K–O bond distances ranging from 2.80–3.36 Å. There are a spread of K–F bond distances ranging from 2.70–3.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one I5+ atom. The O–I bond length is 1.81 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one I5+ atom. The O–I bond length is 1.80 Å. I5+ is bonded in a distorted rectangular see-saw-like geometry to two O2- and two F1- atoms. There are one shorter (2.04 Å) and one longer (2.07 Å) I–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to three equivalent K1+ and one I5+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one I5+ atom.},
doi = {10.17188/1270532},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}