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Title: Materials Data on MgMnF5 by Materials Project

Abstract

MgMnF5 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one MgMnF5 sheet oriented in the (1, 0, -1) direction. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 1-coordinate geometry to four F1- atoms. There are a spread of Mg–F bond distances ranging from 1.48–2.11 Å. In the second Mg2+ site, Mg2+ is bonded in a 1-coordinate geometry to four F1- atoms. There are a spread of Mg–F bond distances ranging from 1.46–2.11 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded in a 2-coordinate geometry to four F1- atoms. There are a spread of Mn–F bond distances ranging from 1.56–1.98 Å. In the second Mn3+ site, Mn3+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Mn–F bond distances ranging from 2.06–2.26 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one Mn3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one Mn3+ atom. In the third F1- site, F1- ismore » bonded in a linear geometry to one Mg2+ and one Mn3+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Mg2+ and one Mn3+ atom. In the fifth F1- site, F1- is bonded in a bent 120 degrees geometry to one Mg2+ and one Mn3+ atom. In the sixth F1- site, F1- is bonded in a 1-coordinate geometry to one Mn3+ atom. In the seventh F1- site, F1- is bonded in a bent 120 degrees geometry to one Mg2+ and one Mn3+ atom. In the eighth F1- site, F1- is bonded in a distorted single-bond geometry to one Mn3+ atom. In the ninth F1- site, F1- is bonded in a linear geometry to one Mg2+ and one Mn3+ atom. In the tenth F1- site, F1- is bonded in a linear geometry to one Mg2+ and one Mn3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mvc-14229
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; MgMnF5; F-Mg-Mn
OSTI Identifier:
1319083
DOI:
https://doi.org/10.17188/1319083

Citation Formats

The Materials Project. Materials Data on MgMnF5 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1319083.
The Materials Project. Materials Data on MgMnF5 by Materials Project. United States. doi:https://doi.org/10.17188/1319083
The Materials Project. 2014. "Materials Data on MgMnF5 by Materials Project". United States. doi:https://doi.org/10.17188/1319083. https://www.osti.gov/servlets/purl/1319083. Pub date:Thu Feb 06 00:00:00 EST 2014
@article{osti_1319083,
title = {Materials Data on MgMnF5 by Materials Project},
author = {The Materials Project},
abstractNote = {MgMnF5 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one MgMnF5 sheet oriented in the (1, 0, -1) direction. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 1-coordinate geometry to four F1- atoms. There are a spread of Mg–F bond distances ranging from 1.48–2.11 Å. In the second Mg2+ site, Mg2+ is bonded in a 1-coordinate geometry to four F1- atoms. There are a spread of Mg–F bond distances ranging from 1.46–2.11 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded in a 2-coordinate geometry to four F1- atoms. There are a spread of Mn–F bond distances ranging from 1.56–1.98 Å. In the second Mn3+ site, Mn3+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Mn–F bond distances ranging from 2.06–2.26 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one Mn3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one Mn3+ atom. In the third F1- site, F1- is bonded in a linear geometry to one Mg2+ and one Mn3+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Mg2+ and one Mn3+ atom. In the fifth F1- site, F1- is bonded in a bent 120 degrees geometry to one Mg2+ and one Mn3+ atom. In the sixth F1- site, F1- is bonded in a 1-coordinate geometry to one Mn3+ atom. In the seventh F1- site, F1- is bonded in a bent 120 degrees geometry to one Mg2+ and one Mn3+ atom. In the eighth F1- site, F1- is bonded in a distorted single-bond geometry to one Mn3+ atom. In the ninth F1- site, F1- is bonded in a linear geometry to one Mg2+ and one Mn3+ atom. In the tenth F1- site, F1- is bonded in a linear geometry to one Mg2+ and one Mn3+ atom.},
doi = {10.17188/1319083},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}