U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrMoP by Materials Project
Abstract
ZrMoP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to six equivalent Mo and five P atoms. There are two shorter (2.96 Å) and four longer (3.01 Å) Zr–Mo bond lengths. There are four shorter (2.73 Å) and one longer (2.82 Å) Zr–P bond lengths. Mo is bonded in a 10-coordinate geometry to six equivalent Zr and four P atoms. There are two shorter (2.46 Å) and two longer (2.65 Å) Mo–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Mo atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Mo atoms.
- Publication Date:
- Other Number(s):
- mp-10300
- 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; Mo-P-Zr; ZrMoP; crystal structure
- OSTI Identifier:
- 1186948
- DOI:
- https://doi.org/10.17188/1186948
Citation Formats
Materials Data on ZrMoP by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1186948.
Materials Data on ZrMoP by Materials Project. United States. doi:https://doi.org/10.17188/1186948
2020.
"Materials Data on ZrMoP by Materials Project". United States. doi:https://doi.org/10.17188/1186948. https://www.osti.gov/servlets/purl/1186948. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1186948,
title = {Materials Data on ZrMoP by Materials Project},
abstractNote = {ZrMoP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to six equivalent Mo and five P atoms. There are two shorter (2.96 Å) and four longer (3.01 Å) Zr–Mo bond lengths. There are four shorter (2.73 Å) and one longer (2.82 Å) Zr–P bond lengths. Mo is bonded in a 10-coordinate geometry to six equivalent Zr and four P atoms. There are two shorter (2.46 Å) and two longer (2.65 Å) Mo–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Mo atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Mo atoms.},
doi = {10.17188/1186948},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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