U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnZnF5 by Materials Project
Abstract
MnZnF5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with two equivalent MnF6 octahedra and corners with six ZnF5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are a spread of Mn–F bond distances ranging from 1.87–2.22 Å. In the second Mn3+ site, Mn3+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with two equivalent MnF6 octahedra and corners with six ZnF5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are a spread of Mn–F bond distances ranging from 1.87–2.22 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to five F1- atoms to form ZnF5 trigonal bipyramids that share corners with six MnF6 octahedra. The corner-sharing octahedra tilt angles range from 4–67°. There are one shorter (2.00 Å) and four longer (2.02 Å) Zn–F bond lengths. In the second Zn2+ site, Zn2+ is bonded to five F1- atoms to form ZnF5 trigonal bipyramids that share corners with six MnF6 octahedra. The corner-sharing octahedra tilt angles rangemore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-14335
- 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; MnZnF5; F-Mn-Zn
- OSTI Identifier:
- 1319112
- DOI:
- https://doi.org/10.17188/1319112
Citation Formats
The Materials Project. Materials Data on MnZnF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1319112.
The Materials Project. Materials Data on MnZnF5 by Materials Project. United States. doi:https://doi.org/10.17188/1319112
The Materials Project. 2020.
"Materials Data on MnZnF5 by Materials Project". United States. doi:https://doi.org/10.17188/1319112. https://www.osti.gov/servlets/purl/1319112. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1319112,
title = {Materials Data on MnZnF5 by Materials Project},
author = {The Materials Project},
abstractNote = {MnZnF5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with two equivalent MnF6 octahedra and corners with six ZnF5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are a spread of Mn–F bond distances ranging from 1.87–2.22 Å. In the second Mn3+ site, Mn3+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with two equivalent MnF6 octahedra and corners with six ZnF5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are a spread of Mn–F bond distances ranging from 1.87–2.22 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to five F1- atoms to form ZnF5 trigonal bipyramids that share corners with six MnF6 octahedra. The corner-sharing octahedra tilt angles range from 4–67°. There are one shorter (2.00 Å) and four longer (2.02 Å) Zn–F bond lengths. In the second Zn2+ site, Zn2+ is bonded to five F1- atoms to form ZnF5 trigonal bipyramids that share corners with six MnF6 octahedra. The corner-sharing octahedra tilt angles range from 4–66°. There are a spread of Zn–F bond distances ranging from 2.00–2.02 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two Mn3+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two Mn3+ and one Zn2+ atom. In the third F1- site, F1- is bonded in a linear geometry to one Mn3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Mn3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Mn3+ and one Zn2+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Mn3+ and one Zn2+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Mn3+ and one Zn2+ atom. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to one Mn3+ and one Zn2+ atom. In the ninth F1- site, F1- is bonded in a linear geometry to one Mn3+ and one Zn2+ atom. In the tenth F1- site, F1- is bonded in a linear geometry to one Mn3+ and one Zn2+ atom.},
doi = {10.17188/1319112},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}