U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KC4(OF)2 by Materials Project
Abstract
KC2O2FCCF crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of four fluoromethane molecules; four methane molecules; and one KC2O2F sheet oriented in the (0, 1, 0) direction. In the KC2O2F sheet, K1+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are a spread of K–O bond distances ranging from 2.69–2.94 Å. The K–F bond length is 2.86 Å. There are two inequivalent C+1.25+ sites. In the first C+1.25+ site, C+1.25+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.35 Å. In the second C+1.25+ site, C+1.25+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C+1.25+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C+1.25+ atom. F1- is bonded in a distorted single-bond geometry to one K1+ and one C+1.25+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211820
- 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; KC4(OF)2; C-F-K-O
- OSTI Identifier:
- 1745758
- DOI:
- https://doi.org/10.17188/1745758
Citation Formats
The Materials Project. Materials Data on KC4(OF)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1745758.
The Materials Project. Materials Data on KC4(OF)2 by Materials Project. United States. doi:https://doi.org/10.17188/1745758
The Materials Project. 2020.
"Materials Data on KC4(OF)2 by Materials Project". United States. doi:https://doi.org/10.17188/1745758. https://www.osti.gov/servlets/purl/1745758. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1745758,
title = {Materials Data on KC4(OF)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KC2O2FCCF crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of four fluoromethane molecules; four methane molecules; and one KC2O2F sheet oriented in the (0, 1, 0) direction. In the KC2O2F sheet, K1+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are a spread of K–O bond distances ranging from 2.69–2.94 Å. The K–F bond length is 2.86 Å. There are two inequivalent C+1.25+ sites. In the first C+1.25+ site, C+1.25+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.35 Å. In the second C+1.25+ site, C+1.25+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C+1.25+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C+1.25+ atom. F1- is bonded in a distorted single-bond geometry to one K1+ and one C+1.25+ atom.},
doi = {10.17188/1745758},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}