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Title: Materials Data on SrMnOF5 by Materials Project

Abstract

SrMnOF5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to two equivalent O and seven F atoms. There are one shorter (2.85 Å) and one longer (2.87 Å) Sr–O bond lengths. There are a spread of Sr–F bond distances ranging from 2.46–2.69 Å. Mn is bonded to six F atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Mn–F bond distances ranging from 1.86–2.07 Å. O is bonded in a bent 150 degrees geometry to two equivalent Sr atoms. There are three inequivalent F sites. In the first F site, F is bonded in a distorted trigonal non-coplanar geometry to one Sr and two equivalent Mn atoms. In the second F site, F is bonded in a bent 150 degrees geometry to one Sr and one Mn atom. In the third F site, F is bonded in a 3-coordinate geometry to two equivalent Sr and one Mn atom.

Publication Date:
Other Number(s):
mp-1106083
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; SrMnOF5; F-Mn-O-Sr
OSTI Identifier:
1684591
DOI:
https://doi.org/10.17188/1684591

Citation Formats

The Materials Project. Materials Data on SrMnOF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684591.
The Materials Project. Materials Data on SrMnOF5 by Materials Project. United States. doi:https://doi.org/10.17188/1684591
The Materials Project. 2020. "Materials Data on SrMnOF5 by Materials Project". United States. doi:https://doi.org/10.17188/1684591. https://www.osti.gov/servlets/purl/1684591. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1684591,
title = {Materials Data on SrMnOF5 by Materials Project},
author = {The Materials Project},
abstractNote = {SrMnOF5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to two equivalent O and seven F atoms. There are one shorter (2.85 Å) and one longer (2.87 Å) Sr–O bond lengths. There are a spread of Sr–F bond distances ranging from 2.46–2.69 Å. Mn is bonded to six F atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Mn–F bond distances ranging from 1.86–2.07 Å. O is bonded in a bent 150 degrees geometry to two equivalent Sr atoms. There are three inequivalent F sites. In the first F site, F is bonded in a distorted trigonal non-coplanar geometry to one Sr and two equivalent Mn atoms. In the second F site, F is bonded in a bent 150 degrees geometry to one Sr and one Mn atom. In the third F site, F is bonded in a 3-coordinate geometry to two equivalent Sr and one Mn atom.},
doi = {10.17188/1684591},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}