U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf2CoP by Materials Project
Abstract
Hf2CoP is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 7-coordinate geometry to four equivalent Co and three equivalent P atoms. There are a spread of Hf–Co bond distances ranging from 2.63–2.86 Å. There are two shorter (2.73 Å) and one longer (2.80 Å) Hf–P bond lengths. In the second Hf site, Hf is bonded in a 7-coordinate geometry to three equivalent Co and four equivalent P atoms. There are two shorter (2.65 Å) and one longer (2.85 Å) Hf–Co bond lengths. There are three shorter (2.71 Å) and one longer (2.78 Å) Hf–P bond lengths. Co is bonded in a 9-coordinate geometry to seven Hf and two equivalent P atoms. Both Co–P bond lengths are 2.31 Å. P is bonded in a 9-coordinate geometry to seven Hf and two equivalent Co atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-29154
- 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; Hf2CoP; Co-Hf-P
- OSTI Identifier:
- 1203282
- DOI:
- https://doi.org/10.17188/1203282
Citation Formats
The Materials Project. Materials Data on Hf2CoP by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203282.
The Materials Project. Materials Data on Hf2CoP by Materials Project. United States. doi:https://doi.org/10.17188/1203282
The Materials Project. 2020.
"Materials Data on Hf2CoP by Materials Project". United States. doi:https://doi.org/10.17188/1203282. https://www.osti.gov/servlets/purl/1203282. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1203282,
title = {Materials Data on Hf2CoP by Materials Project},
author = {The Materials Project},
abstractNote = {Hf2CoP is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 7-coordinate geometry to four equivalent Co and three equivalent P atoms. There are a spread of Hf–Co bond distances ranging from 2.63–2.86 Å. There are two shorter (2.73 Å) and one longer (2.80 Å) Hf–P bond lengths. In the second Hf site, Hf is bonded in a 7-coordinate geometry to three equivalent Co and four equivalent P atoms. There are two shorter (2.65 Å) and one longer (2.85 Å) Hf–Co bond lengths. There are three shorter (2.71 Å) and one longer (2.78 Å) Hf–P bond lengths. Co is bonded in a 9-coordinate geometry to seven Hf and two equivalent P atoms. Both Co–P bond lengths are 2.31 Å. P is bonded in a 9-coordinate geometry to seven Hf and two equivalent Co atoms.},
doi = {10.17188/1203282},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}