Materials Data on KMnF4 by Materials Project
Abstract
KMnF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.72–3.09 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 33–38°. There are a spread of Mn–F bond distances ranging from 1.85–2.23 Å. In the second Mn3+ site, Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 33–38°. There are a spread of Mn–F bond distances ranging from 1.86–2.19 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Mn3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Mn3+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Mn3+ atoms. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and twomore »
- Publication Date:
- Other Number(s):
- mp-558116
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Product Type:
- Dataset
- 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)
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; KMnF4; F-K-Mn
- OSTI Identifier:
- 1270165
- DOI:
- 10.17188/1270165
Citation Formats
The Materials Project. Materials Data on KMnF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270165.
The Materials Project. Materials Data on KMnF4 by Materials Project. United States. doi:10.17188/1270165.
The Materials Project. 2020.
"Materials Data on KMnF4 by Materials Project". United States. doi:10.17188/1270165. https://www.osti.gov/servlets/purl/1270165. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1270165,
title = {Materials Data on KMnF4 by Materials Project},
author = {The Materials Project},
abstractNote = {KMnF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.72–3.09 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 33–38°. There are a spread of Mn–F bond distances ranging from 1.85–2.23 Å. In the second Mn3+ site, Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 33–38°. There are a spread of Mn–F bond distances ranging from 1.86–2.19 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Mn3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Mn3+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Mn3+ atoms. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two Mn3+ atoms.},
doi = {10.17188/1270165},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}