U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MoF5 by Materials Project
Abstract
MoF5 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two MoF5 sheets oriented in the (0, 0, 1) direction. Mo5+ is bonded to eight F1- atoms to form a mixture of corner and edge-sharing MoF8 hexagonal bipyramids. There are a spread of Mo–F bond distances ranging from 1.89–2.21 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Mo5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Mo5+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent Mo5+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-15892
- 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; MoF5; F-Mo
- OSTI Identifier:
- 1319579
- DOI:
- https://doi.org/10.17188/1319579
Citation Formats
The Materials Project. Materials Data on MoF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1319579.
The Materials Project. Materials Data on MoF5 by Materials Project. United States. doi:https://doi.org/10.17188/1319579
The Materials Project. 2020.
"Materials Data on MoF5 by Materials Project". United States. doi:https://doi.org/10.17188/1319579. https://www.osti.gov/servlets/purl/1319579. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1319579,
title = {Materials Data on MoF5 by Materials Project},
author = {The Materials Project},
abstractNote = {MoF5 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two MoF5 sheets oriented in the (0, 0, 1) direction. Mo5+ is bonded to eight F1- atoms to form a mixture of corner and edge-sharing MoF8 hexagonal bipyramids. There are a spread of Mo–F bond distances ranging from 1.89–2.21 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Mo5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Mo5+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent Mo5+ atoms.},
doi = {10.17188/1319579},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}
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