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 6-coordinate geometry to two equivalent O2- and four F1- atoms. There are one shorter (2.87 Å) and one longer (2.92 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.77–3.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to 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 1.81 Å. I5+ is bonded in a 4-coordinate geometry to two O2- and two F1- atoms. There are one shorter (2.02 Å) and one longer (2.08 Å) I–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two 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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-753054
- 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; KI(OF)2; F-I-K-O
- OSTI Identifier:
- 1288890
- DOI:
- https://doi.org/10.17188/1288890
Citation Formats
The Materials Project. Materials Data on KI(OF)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288890.
The Materials Project. Materials Data on KI(OF)2 by Materials Project. United States. doi:https://doi.org/10.17188/1288890
The Materials Project. 2020.
"Materials Data on KI(OF)2 by Materials Project". United States. doi:https://doi.org/10.17188/1288890. https://www.osti.gov/servlets/purl/1288890. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1288890,
title = {Materials Data on KI(OF)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KI(OF)2 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to two equivalent O2- and four F1- atoms. There are one shorter (2.87 Å) and one longer (2.92 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.77–3.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to 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 1.81 Å. I5+ is bonded in a 4-coordinate geometry to two O2- and two F1- atoms. There are one shorter (2.02 Å) and one longer (2.08 Å) I–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two 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 = {10.17188/1288890},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}