U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn3(OF2)2 by Materials Project
Abstract
Mn3(OF2)2 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Mn+2.67+ sites. In the first Mn+2.67+ site, Mn+2.67+ is bonded to two equivalent O2- and four F1- atoms to form a mixture of edge and corner-sharing MnO2F4 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. Both Mn–O bond lengths are 1.98 Å. There are a spread of Mn–F bond distances ranging from 2.11–2.22 Å. In the second Mn+2.67+ site, Mn+2.67+ is bonded to two equivalent O2- and four equivalent F1- atoms to form a mixture of edge and corner-sharing MnO2F4 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. Both Mn–O bond lengths are 1.92 Å. All Mn–F bond lengths are 2.08 Å. O2- is bonded in a trigonal planar geometry to three Mn+2.67+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three Mn+2.67+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Mn+2.67+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-778729
- 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; Mn3(OF2)2; F-Mn-O
- OSTI Identifier:
- 1305734
- DOI:
- https://doi.org/10.17188/1305734
Citation Formats
The Materials Project. Materials Data on Mn3(OF2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1305734.
The Materials Project. Materials Data on Mn3(OF2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1305734
The Materials Project. 2020.
"Materials Data on Mn3(OF2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1305734. https://www.osti.gov/servlets/purl/1305734. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1305734,
title = {Materials Data on Mn3(OF2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3(OF2)2 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Mn+2.67+ sites. In the first Mn+2.67+ site, Mn+2.67+ is bonded to two equivalent O2- and four F1- atoms to form a mixture of edge and corner-sharing MnO2F4 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. Both Mn–O bond lengths are 1.98 Å. There are a spread of Mn–F bond distances ranging from 2.11–2.22 Å. In the second Mn+2.67+ site, Mn+2.67+ is bonded to two equivalent O2- and four equivalent F1- atoms to form a mixture of edge and corner-sharing MnO2F4 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. Both Mn–O bond lengths are 1.92 Å. All Mn–F bond lengths are 2.08 Å. O2- is bonded in a trigonal planar geometry to three Mn+2.67+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three Mn+2.67+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Mn+2.67+ atoms.},
doi = {10.17188/1305734},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}