U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf9FeMo4 by Materials Project
Abstract
Hf9Mo4Fe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 1-coordinate geometry to four Mo and one Fe atom. There are a spread of Hf–Mo bond distances ranging from 2.91–3.09 Å. The Hf–Fe bond length is 2.56 Å. In the second Hf site, Hf is bonded in a 2-coordinate geometry to two equivalent Mo atoms. Both Hf–Mo bond lengths are 2.88 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 12-coordinate geometry to eight Hf and four Mo atoms. There are two shorter (2.70 Å) and two longer (2.93 Å) Mo–Mo bond lengths. In the second Mo site, Mo is bonded to six equivalent Hf and six equivalent Mo atoms to form face-sharing MoHf6Mo6 cuboctahedra. Fe is bonded in a 6-coordinate geometry to six equivalent Hf atoms.
- Publication Date:
- Other Number(s):
- mp-1193558
- 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; Fe-Hf-Mo; Hf9FeMo4; crystal structure
- OSTI Identifier:
- 1677376
- DOI:
- https://doi.org/10.17188/1677376
Citation Formats
Materials Data on Hf9FeMo4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1677376.
Materials Data on Hf9FeMo4 by Materials Project. United States. doi:https://doi.org/10.17188/1677376
2019.
"Materials Data on Hf9FeMo4 by Materials Project". United States. doi:https://doi.org/10.17188/1677376. https://www.osti.gov/servlets/purl/1677376. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1677376,
title = {Materials Data on Hf9FeMo4 by Materials Project},
abstractNote = {Hf9Mo4Fe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 1-coordinate geometry to four Mo and one Fe atom. There are a spread of Hf–Mo bond distances ranging from 2.91–3.09 Å. The Hf–Fe bond length is 2.56 Å. In the second Hf site, Hf is bonded in a 2-coordinate geometry to two equivalent Mo atoms. Both Hf–Mo bond lengths are 2.88 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 12-coordinate geometry to eight Hf and four Mo atoms. There are two shorter (2.70 Å) and two longer (2.93 Å) Mo–Mo bond lengths. In the second Mo site, Mo is bonded to six equivalent Hf and six equivalent Mo atoms to form face-sharing MoHf6Mo6 cuboctahedra. Fe is bonded in a 6-coordinate geometry to six equivalent Hf atoms.},
doi = {10.17188/1677376},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}