U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgMoF5 by Materials Project
Abstract
MgMoF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Mg–F bond distances ranging from 1.92–2.55 Å. Mo3+ is bonded to six F1- atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Mo–F bond distances ranging from 2.06–2.13 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one Mo3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Mo3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Mg2+ and one Mo3+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Mg2+ and one Mo3+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent Mo3+ atoms.
- Publication Date:
- Other Number(s):
- mvc-3750
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; F-Mg-Mo; MgMoF5; crystal structure
- OSTI Identifier:
- 1320695
- DOI:
- https://doi.org/10.17188/1320695
Citation Formats
Materials Data on MgMoF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320695.
Materials Data on MgMoF5 by Materials Project. United States. doi:https://doi.org/10.17188/1320695
2020.
"Materials Data on MgMoF5 by Materials Project". United States. doi:https://doi.org/10.17188/1320695. https://www.osti.gov/servlets/purl/1320695. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1320695,
title = {Materials Data on MgMoF5 by Materials Project},
abstractNote = {MgMoF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Mg–F bond distances ranging from 1.92–2.55 Å. Mo3+ is bonded to six F1- atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Mo–F bond distances ranging from 2.06–2.13 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one Mo3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Mo3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Mg2+ and one Mo3+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Mg2+ and one Mo3+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent Mo3+ atoms.},
doi = {10.17188/1320695},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}