U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KMnF3 by Materials Project
Abstract
KMnF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded to twelve F1- atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with eight equivalent MnF6 octahedra. There are a spread of K–F bond distances ranging from 2.76–3.27 Å. Mn2+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with six equivalent MnF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 13–14°. All Mn–F bond lengths are 2.14 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Mn2+ atoms.
- Publication Date:
- Other Number(s):
- mp-558046
- 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; F-K-Mn; KMnF3; crystal structure
- OSTI Identifier:
- 1270132
- DOI:
- https://doi.org/10.17188/1270132
Citation Formats
Materials Data on KMnF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270132.
Materials Data on KMnF3 by Materials Project. United States. doi:https://doi.org/10.17188/1270132
2020.
"Materials Data on KMnF3 by Materials Project". United States. doi:https://doi.org/10.17188/1270132. https://www.osti.gov/servlets/purl/1270132. Pub date:Mon Aug 03 04:00:00 UTC 2020
@article{osti_1270132,
title = {Materials Data on KMnF3 by Materials Project},
abstractNote = {KMnF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded to twelve F1- atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with eight equivalent MnF6 octahedra. There are a spread of K–F bond distances ranging from 2.76–3.27 Å. Mn2+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with six equivalent MnF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 13–14°. All Mn–F bond lengths are 2.14 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Mn2+ atoms.},
doi = {10.17188/1270132},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}