U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn6O11F by Materials Project
Abstract
Mn6O11F is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mn+3.83+ sites. In the first Mn+3.83+ site, Mn+3.83+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Mn–O bond distances ranging from 1.92–1.97 Å. In the second Mn+3.83+ site, Mn+3.83+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There is one shorter (1.93 Å) and five longer (1.94 Å) Mn–O bond length. In the third Mn+3.83+ site, Mn+3.83+ is bonded to five O2- and one F1- atom to form MnO5F octahedra that share corners with eight MnO6 octahedra and edges with two equivalent MnO5F octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There is one shorter (1.86 Å) and four longer (1.93 Å) Mn–O bond length. The Mn–F bond length is 2.00 Å. In the fourth Mn+3.83+ site, Mn+3.83+ is bonded to four O2- and two equivalent F1- atoms to form MnO4F2 octahedra that share corners with eight MnO6 octahedra and edges withmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-765698
- 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; Mn6O11F; F-Mn-O
- OSTI Identifier:
- 1268319
- DOI:
- https://doi.org/10.17188/1268319
Citation Formats
The Materials Project. Materials Data on Mn6O11F by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1268319.
The Materials Project. Materials Data on Mn6O11F by Materials Project. United States. doi:https://doi.org/10.17188/1268319
The Materials Project. 2017.
"Materials Data on Mn6O11F by Materials Project". United States. doi:https://doi.org/10.17188/1268319. https://www.osti.gov/servlets/purl/1268319. Pub date:Fri Jun 23 00:00:00 EDT 2017
@article{osti_1268319,
title = {Materials Data on Mn6O11F by Materials Project},
author = {The Materials Project},
abstractNote = {Mn6O11F is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mn+3.83+ sites. In the first Mn+3.83+ site, Mn+3.83+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Mn–O bond distances ranging from 1.92–1.97 Å. In the second Mn+3.83+ site, Mn+3.83+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There is one shorter (1.93 Å) and five longer (1.94 Å) Mn–O bond length. In the third Mn+3.83+ site, Mn+3.83+ is bonded to five O2- and one F1- atom to form MnO5F octahedra that share corners with eight MnO6 octahedra and edges with two equivalent MnO5F octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There is one shorter (1.86 Å) and four longer (1.93 Å) Mn–O bond length. The Mn–F bond length is 2.00 Å. In the fourth Mn+3.83+ site, Mn+3.83+ is bonded to four O2- and two equivalent F1- atoms to form MnO4F2 octahedra that share corners with eight MnO6 octahedra and edges with two equivalent MnO4F2 octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There is two shorter (1.89 Å) and two longer (1.92 Å) Mn–O bond length. Both Mn–F bond lengths are 2.03 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Mn+3.83+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mn+3.83+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mn+3.83+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mn+3.83+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mn+3.83+ atoms. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to three Mn+3.83+ atoms. F1- is bonded in a 3-coordinate geometry to three Mn+3.83+ atoms.},
doi = {10.17188/1268319},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jun 23 00:00:00 EDT 2017},
month = {Fri Jun 23 00:00:00 EDT 2017}
}