U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mo3H by Materials Project
Abstract
Mo3H crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 4-coordinate geometry to eight Mo atoms. There are four shorter (2.51 Å) and four longer (2.82 Å) Mo–Mo bond lengths. In the second Mo site, Mo is bonded to eight equivalent Mo and four equivalent H atoms to form a mixture of distorted corner, edge, and face-sharing MoMo8H4 cuboctahedra. All Mo–H bond lengths are 2.51 Å. H is bonded in a square co-planar geometry to four equivalent Mo atoms.
- Publication Date:
- Other Number(s):
- mp-975912
- 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; H-Mo; Mo3H; crystal structure
- OSTI Identifier:
- 1314916
- DOI:
- https://doi.org/10.17188/1314916
Citation Formats
Materials Data on Mo3H by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1314916.
Materials Data on Mo3H by Materials Project. United States. doi:https://doi.org/10.17188/1314916
2017.
"Materials Data on Mo3H by Materials Project". United States. doi:https://doi.org/10.17188/1314916. https://www.osti.gov/servlets/purl/1314916. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1314916,
title = {Materials Data on Mo3H by Materials Project},
abstractNote = {Mo3H crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 4-coordinate geometry to eight Mo atoms. There are four shorter (2.51 Å) and four longer (2.82 Å) Mo–Mo bond lengths. In the second Mo site, Mo is bonded to eight equivalent Mo and four equivalent H atoms to form a mixture of distorted corner, edge, and face-sharing MoMo8H4 cuboctahedra. All Mo–H bond lengths are 2.51 Å. H is bonded in a square co-planar geometry to four equivalent Mo atoms.},
doi = {10.17188/1314916},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.