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Title: Materials Data on MnZnF4 by Materials Project

Abstract

MnZnF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Mn–F bond distances ranging from 2.22–2.40 Å. In the second Mn2+ site, Mn2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Mn–F bond distances ranging from 2.21–2.38 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to seven F1- atoms. There are a spread of Zn–F bond distances ranging from 1.99–2.57 Å. In the second Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.00–2.61 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two Mn2+ and two Zn2+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two Mn2+ and two Zn2+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two Mn2+ and two Zn2+more » atoms. In the fourth F1- site, F1- is bonded in a distorted tetrahedral geometry to two Mn2+ and two Zn2+ atoms. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to two Mn2+ and two Zn2+ atoms. In the sixth F1- site, F1- is bonded in a distorted trigonal planar geometry to two Mn2+ and one Zn2+ atom. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to two Mn2+ and two Zn2+ atoms. In the eighth F1- site, F1- is bonded in a 4-coordinate geometry to two Mn2+ and two Zn2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mvc-3477
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; MnZnF4; F-Mn-Zn
OSTI Identifier:
1320585
DOI:
https://doi.org/10.17188/1320585

Citation Formats

The Materials Project. Materials Data on MnZnF4 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1320585.
The Materials Project. Materials Data on MnZnF4 by Materials Project. United States. doi:https://doi.org/10.17188/1320585
The Materials Project. 2014. "Materials Data on MnZnF4 by Materials Project". United States. doi:https://doi.org/10.17188/1320585. https://www.osti.gov/servlets/purl/1320585. Pub date:Fri Feb 07 00:00:00 EST 2014
@article{osti_1320585,
title = {Materials Data on MnZnF4 by Materials Project},
author = {The Materials Project},
abstractNote = {MnZnF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Mn–F bond distances ranging from 2.22–2.40 Å. In the second Mn2+ site, Mn2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Mn–F bond distances ranging from 2.21–2.38 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to seven F1- atoms. There are a spread of Zn–F bond distances ranging from 1.99–2.57 Å. In the second Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.00–2.61 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two Mn2+ and two Zn2+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two Mn2+ and two Zn2+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two Mn2+ and two Zn2+ atoms. In the fourth F1- site, F1- is bonded in a distorted tetrahedral geometry to two Mn2+ and two Zn2+ atoms. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to two Mn2+ and two Zn2+ atoms. In the sixth F1- site, F1- is bonded in a distorted trigonal planar geometry to two Mn2+ and one Zn2+ atom. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to two Mn2+ and two Zn2+ atoms. In the eighth F1- site, F1- is bonded in a 4-coordinate geometry to two Mn2+ and two Zn2+ atoms.},
doi = {10.17188/1320585},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}