U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnMoF5 by Materials Project
Abstract
MoZnF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mo3+ is bonded to six F1- atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are five shorter (2.10 Å) and one longer (2.11 Å) Mo–F bond lengths. Zn2+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.93–2.54 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Mo3+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Mo3+ and two equivalent Zn2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Mo3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a distorted linear geometry to one Mo3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mo3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-3757
- 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; ZnMoF5; F-Mo-Zn
- OSTI Identifier:
- 1320700
- DOI:
- https://doi.org/10.17188/1320700
Citation Formats
The Materials Project. Materials Data on ZnMoF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320700.
The Materials Project. Materials Data on ZnMoF5 by Materials Project. United States. doi:https://doi.org/10.17188/1320700
The Materials Project. 2020.
"Materials Data on ZnMoF5 by Materials Project". United States. doi:https://doi.org/10.17188/1320700. https://www.osti.gov/servlets/purl/1320700. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1320700,
title = {Materials Data on ZnMoF5 by Materials Project},
author = {The Materials Project},
abstractNote = {MoZnF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mo3+ is bonded to six F1- atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are five shorter (2.10 Å) and one longer (2.11 Å) Mo–F bond lengths. Zn2+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.93–2.54 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Mo3+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Mo3+ and two equivalent Zn2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Mo3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a distorted linear geometry to one Mo3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mo3+ atoms.},
doi = {10.17188/1320700},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}