U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KAs(OF2)2 by Materials Project
Abstract
KAs(OF2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to four equivalent O and four F atoms. There are two shorter (2.89 Å) and two longer (3.27 Å) K–O bond lengths. There are two shorter (2.85 Å) and two longer (2.93 Å) K–F bond lengths. As is bonded in an octahedral geometry to two equivalent O and four F atoms. Both As–O bond lengths are 1.80 Å. There is two shorter (1.80 Å) and two longer (1.81 Å) As–F bond length. O is bonded in a distorted single-bond geometry to two equivalent K and one As atom. There are two inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one K and one As atom. In the second F site, F is bonded in a distorted single-bond geometry to one K and one As atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1223614
- 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; KAs(OF2)2; As-F-K-O
- OSTI Identifier:
- 1723890
- DOI:
- https://doi.org/10.17188/1723890
Citation Formats
The Materials Project. Materials Data on KAs(OF2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1723890.
The Materials Project. Materials Data on KAs(OF2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1723890
The Materials Project. 2020.
"Materials Data on KAs(OF2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1723890. https://www.osti.gov/servlets/purl/1723890. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1723890,
title = {Materials Data on KAs(OF2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KAs(OF2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to four equivalent O and four F atoms. There are two shorter (2.89 Å) and two longer (3.27 Å) K–O bond lengths. There are two shorter (2.85 Å) and two longer (2.93 Å) K–F bond lengths. As is bonded in an octahedral geometry to two equivalent O and four F atoms. Both As–O bond lengths are 1.80 Å. There is two shorter (1.80 Å) and two longer (1.81 Å) As–F bond length. O is bonded in a distorted single-bond geometry to two equivalent K and one As atom. There are two inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one K and one As atom. In the second F site, F is bonded in a distorted single-bond geometry to one K and one As atom.},
doi = {10.17188/1723890},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}