Materials Data on NaMnF3 by Materials Project
Abstract
NaMnF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.32–2.91 Å. Mn2+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are four shorter (2.14 Å) and two longer (2.16 Å) Mn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Mn2+ atoms to form distorted corner-sharing FNa2Mn2 trigonal pyramids. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent Mn2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-560242
- 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; NaMnF3; F-Mn-Na
- OSTI Identifier:
- 1271356
- DOI:
- https://doi.org/10.17188/1271356
Citation Formats
The Materials Project. Materials Data on NaMnF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271356.
The Materials Project. Materials Data on NaMnF3 by Materials Project. United States. doi:https://doi.org/10.17188/1271356
The Materials Project. 2020.
"Materials Data on NaMnF3 by Materials Project". United States. doi:https://doi.org/10.17188/1271356. https://www.osti.gov/servlets/purl/1271356. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1271356,
title = {Materials Data on NaMnF3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaMnF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.32–2.91 Å. Mn2+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are four shorter (2.14 Å) and two longer (2.16 Å) Mn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Mn2+ atoms to form distorted corner-sharing FNa2Mn2 trigonal pyramids. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent Mn2+ atoms.},
doi = {10.17188/1271356},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}