U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn2OF3 by Materials Project
Abstract
Mn2OF3 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Mn+2.50+ sites. In the first Mn+2.50+ site, Mn+2.50+ is bonded to two equivalent O2- and four F1- atoms to form MnO2F4 octahedra that share corners with eight MnO2F4 octahedra and edges with two equivalent MnOF5 octahedra. The corner-sharing octahedra tilt angles range from 43–59°. Both Mn–O bond lengths are 2.01 Å. There are two shorter (2.10 Å) and two longer (2.11 Å) Mn–F bond lengths. In the second Mn+2.50+ site, Mn+2.50+ is bonded to two equivalent O2- and four F1- atoms to form MnO2F4 octahedra that share corners with eight MnO2F4 octahedra and edges with two equivalent MnOF5 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. Both Mn–O bond lengths are 1.98 Å. There are two shorter (2.06 Å) and two longer (2.12 Å) Mn–F bond lengths. In the third Mn+2.50+ site, Mn+2.50+ is bonded to one O2- and five F1- atoms to form a mixture of edge and corner-sharing MnOF5 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. The Mn–O bond length is 2.06 Å. There are a spread of Mn–F bond distances ranging from 2.08–2.26 Å.more »
- Publication Date:
- Other Number(s):
- mp-849460
- 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; crystal structure; F-Mn-O; Mn2OF3
- OSTI Identifier:
- 1308270
- DOI:
- https://doi.org/10.17188/1308270
Citation Formats
Materials Data on Mn2OF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1308270.
Materials Data on Mn2OF3 by Materials Project. United States. doi:https://doi.org/10.17188/1308270
2020.
"Materials Data on Mn2OF3 by Materials Project". United States. doi:https://doi.org/10.17188/1308270. https://www.osti.gov/servlets/purl/1308270. Pub date:Sat May 02 20:00:00 EDT 2020
@article{osti_1308270,
title = {Materials Data on Mn2OF3 by Materials Project},
abstractNote = {Mn2OF3 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Mn+2.50+ sites. In the first Mn+2.50+ site, Mn+2.50+ is bonded to two equivalent O2- and four F1- atoms to form MnO2F4 octahedra that share corners with eight MnO2F4 octahedra and edges with two equivalent MnOF5 octahedra. The corner-sharing octahedra tilt angles range from 43–59°. Both Mn–O bond lengths are 2.01 Å. There are two shorter (2.10 Å) and two longer (2.11 Å) Mn–F bond lengths. In the second Mn+2.50+ site, Mn+2.50+ is bonded to two equivalent O2- and four F1- atoms to form MnO2F4 octahedra that share corners with eight MnO2F4 octahedra and edges with two equivalent MnOF5 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. Both Mn–O bond lengths are 1.98 Å. There are two shorter (2.06 Å) and two longer (2.12 Å) Mn–F bond lengths. In the third Mn+2.50+ site, Mn+2.50+ is bonded to one O2- and five F1- atoms to form a mixture of edge and corner-sharing MnOF5 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. The Mn–O bond length is 2.06 Å. There are a spread of Mn–F bond distances ranging from 2.08–2.26 Å. O2- is bonded in a distorted trigonal planar geometry to three Mn+2.50+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three Mn+2.50+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to three Mn+2.50+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to three Mn+2.50+ atoms.},
doi = {10.17188/1308270},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}