skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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 » 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.« less

Publication Date:
Other Number(s):
mp-765698
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mn6O11F; F-Mn-O
OSTI Identifier:
1268319
DOI:
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:10.17188/1268319.
The Materials Project. 2017. "Materials Data on Mn6O11F by Materials Project". United States. doi: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 = {2017},
month = {6}
}

Dataset:

Save / Share: