U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf9Re4P by Materials Project
Abstract
Hf9Re4P 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 Re and one P atom. There are a spread of Hf–Re bond distances ranging from 2.89–3.07 Å. The Hf–P bond length is 2.67 Å. In the second Hf site, Hf is bonded in a distorted T-shaped geometry to two equivalent Re and one P atom. Both Hf–Re bond lengths are 2.88 Å. The Hf–P bond length is 3.05 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 12-coordinate geometry to eight Hf and four Re atoms. There are two shorter (2.70 Å) and two longer (2.79 Å) Re–Re bond lengths. In the second Re site, Re is bonded to six equivalent Hf and six equivalent Re atoms to form face-sharing ReHf6Re6 cuboctahedra. P is bonded in a 9-coordinate geometry to nine Hf atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1193199
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Hf9Re4P; Hf-P-Re
- OSTI Identifier:
- 1722026
- DOI:
- https://doi.org/10.17188/1722026
Citation Formats
The Materials Project. Materials Data on Hf9Re4P by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722026.
The Materials Project. Materials Data on Hf9Re4P by Materials Project. United States. doi:https://doi.org/10.17188/1722026
The Materials Project. 2020.
"Materials Data on Hf9Re4P by Materials Project". United States. doi:https://doi.org/10.17188/1722026. https://www.osti.gov/servlets/purl/1722026. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1722026,
title = {Materials Data on Hf9Re4P by Materials Project},
author = {The Materials Project},
abstractNote = {Hf9Re4P 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 Re and one P atom. There are a spread of Hf–Re bond distances ranging from 2.89–3.07 Å. The Hf–P bond length is 2.67 Å. In the second Hf site, Hf is bonded in a distorted T-shaped geometry to two equivalent Re and one P atom. Both Hf–Re bond lengths are 2.88 Å. The Hf–P bond length is 3.05 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 12-coordinate geometry to eight Hf and four Re atoms. There are two shorter (2.70 Å) and two longer (2.79 Å) Re–Re bond lengths. In the second Re site, Re is bonded to six equivalent Hf and six equivalent Re atoms to form face-sharing ReHf6Re6 cuboctahedra. P is bonded in a 9-coordinate geometry to nine Hf atoms.},
doi = {10.17188/1722026},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}