U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HfPRu by Materials Project
Abstract
HfRuP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Ru and five P atoms. There are two shorter (2.88 Å) and four longer (3.01 Å) Hf–Ru bond lengths. There are one shorter (2.68 Å) and four longer (2.71 Å) Hf–P bond lengths. Ru is bonded to six equivalent Hf, two equivalent Ru, and four P atoms to form a mixture of distorted corner, edge, and face-sharing RuHf6P4Ru2 cuboctahedra. Both Ru–Ru bond lengths are 2.75 Å. All Ru–P bond lengths are 2.47 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ru atoms.
- Publication Date:
- Other Number(s):
- mp-15963
- 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; Hf-P-Ru; HfPRu; crystal structure
- OSTI Identifier:
- 1191475
- DOI:
- https://doi.org/10.17188/1191475
Citation Formats
Materials Data on HfPRu by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1191475.
Materials Data on HfPRu by Materials Project. United States. doi:https://doi.org/10.17188/1191475
2020.
"Materials Data on HfPRu by Materials Project". United States. doi:https://doi.org/10.17188/1191475. https://www.osti.gov/servlets/purl/1191475. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1191475,
title = {Materials Data on HfPRu by Materials Project},
abstractNote = {HfRuP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Ru and five P atoms. There are two shorter (2.88 Å) and four longer (3.01 Å) Hf–Ru bond lengths. There are one shorter (2.68 Å) and four longer (2.71 Å) Hf–P bond lengths. Ru is bonded to six equivalent Hf, two equivalent Ru, and four P atoms to form a mixture of distorted corner, edge, and face-sharing RuHf6P4Ru2 cuboctahedra. Both Ru–Ru bond lengths are 2.75 Å. All Ru–P bond lengths are 2.47 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ru atoms.},
doi = {10.17188/1191475},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}