U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2MnOF5 by Materials Project
Abstract
K2MnOF5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to two equivalent O and eight F atoms. There are one shorter (3.01 Å) and one longer (3.19 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.75–3.27 Å. In the second K site, K is bonded in a 8-coordinate geometry to two equivalent O and seven F atoms. There are one shorter (2.96 Å) and one longer (3.37 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.80–3.04 Å. Mn is bonded to six F atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 17°. There is four shorter (1.89 Å) and two longer (2.06 Å) Mn–F bond length. O is bonded in a distorted rectangular see-saw-like geometry to four K atoms. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to three K and one Mn atom. In the second F site, F is bonded in a distorted single-bond geometry to three K and onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211959
- 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; K2MnOF5; F-K-Mn-O
- OSTI Identifier:
- 1656017
- DOI:
- https://doi.org/10.17188/1656017
Citation Formats
The Materials Project. Materials Data on K2MnOF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1656017.
The Materials Project. Materials Data on K2MnOF5 by Materials Project. United States. doi:https://doi.org/10.17188/1656017
The Materials Project. 2020.
"Materials Data on K2MnOF5 by Materials Project". United States. doi:https://doi.org/10.17188/1656017. https://www.osti.gov/servlets/purl/1656017. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1656017,
title = {Materials Data on K2MnOF5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2MnOF5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to two equivalent O and eight F atoms. There are one shorter (3.01 Å) and one longer (3.19 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.75–3.27 Å. In the second K site, K is bonded in a 8-coordinate geometry to two equivalent O and seven F atoms. There are one shorter (2.96 Å) and one longer (3.37 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.80–3.04 Å. Mn is bonded to six F atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 17°. There is four shorter (1.89 Å) and two longer (2.06 Å) Mn–F bond length. O is bonded in a distorted rectangular see-saw-like geometry to four K atoms. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to three K and one Mn atom. In the second F site, F is bonded in a distorted single-bond geometry to three K and one Mn atom. In the third F site, F is bonded in a 2-coordinate geometry to three K and two equivalent Mn atoms.},
doi = {10.17188/1656017},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}