U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr9BMo4 by Materials Project
Abstract
Zr9Mo4B crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 1-coordinate geometry to four Mo and one B atom. There are a spread of Zr–Mo bond distances ranging from 2.98–3.12 Å. The Zr–B bond length is 2.57 Å. In the second Zr site, Zr is bonded in a 3-coordinate geometry to two equivalent Mo and one B atom. Both Zr–Mo bond lengths are 2.90 Å. The Zr–B bond length is 3.07 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 12-coordinate geometry to eight Zr and four Mo atoms. There are two shorter (2.71 Å) and two longer (2.85 Å) Mo–Mo bond lengths. In the second Mo site, Mo is bonded to six equivalent Zr and six equivalent Mo atoms to form face-sharing MoZr6Mo6 cuboctahedra. B is bonded in a 6-coordinate geometry to nine Zr atoms.
- Publication Date:
- Other Number(s):
- mp-1192463
- 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; B-Mo-Zr; Zr9BMo4; crystal structure
- OSTI Identifier:
- 1740503
- DOI:
- https://doi.org/10.17188/1740503
Citation Formats
Materials Data on Zr9BMo4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740503.
Materials Data on Zr9BMo4 by Materials Project. United States. doi:https://doi.org/10.17188/1740503
2020.
"Materials Data on Zr9BMo4 by Materials Project". United States. doi:https://doi.org/10.17188/1740503. https://www.osti.gov/servlets/purl/1740503. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740503,
title = {Materials Data on Zr9BMo4 by Materials Project},
abstractNote = {Zr9Mo4B crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 1-coordinate geometry to four Mo and one B atom. There are a spread of Zr–Mo bond distances ranging from 2.98–3.12 Å. The Zr–B bond length is 2.57 Å. In the second Zr site, Zr is bonded in a 3-coordinate geometry to two equivalent Mo and one B atom. Both Zr–Mo bond lengths are 2.90 Å. The Zr–B bond length is 3.07 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 12-coordinate geometry to eight Zr and four Mo atoms. There are two shorter (2.71 Å) and two longer (2.85 Å) Mo–Mo bond lengths. In the second Mo site, Mo is bonded to six equivalent Zr and six equivalent Mo atoms to form face-sharing MoZr6Mo6 cuboctahedra. B is bonded in a 6-coordinate geometry to nine Zr atoms.},
doi = {10.17188/1740503},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}