U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf7P4 by Materials Project
Abstract
Hf7P4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are eight inequivalent Hf sites. In the first Hf site, Hf is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.68 Å) and one longer (3.10 Å) Hf–P bond lengths. In the second Hf site, Hf is bonded to five P atoms to form a mixture of distorted edge, face, and corner-sharing HfP5 trigonal bipyramids. There are one shorter (2.62 Å) and four longer (2.68 Å) Hf–P bond lengths. In the third Hf site, Hf is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Hf–P bond distances ranging from 2.69–3.04 Å. In the fourth Hf site, Hf is bonded to five P atoms to form a mixture of distorted edge, face, and corner-sharing HfP5 trigonal bipyramids. There are a spread of Hf–P bond distances ranging from 2.57–2.71 Å. In the fifth Hf site, Hf is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Hf–P bond distances ranging from 2.61–2.87 Å. In the sixth Hf site, Hf is bonded in a 4-coordinate geometry to five P atoms. There are a spreadmore »
- Publication Date:
- Other Number(s):
- mp-18622
- 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; Hf7P4; crystal structure
- OSTI Identifier:
- 1193274
- DOI:
- https://doi.org/10.17188/1193274
Citation Formats
Materials Data on Hf7P4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193274.
Materials Data on Hf7P4 by Materials Project. United States. doi:https://doi.org/10.17188/1193274
2020.
"Materials Data on Hf7P4 by Materials Project". United States. doi:https://doi.org/10.17188/1193274. https://www.osti.gov/servlets/purl/1193274. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1193274,
title = {Materials Data on Hf7P4 by Materials Project},
abstractNote = {Hf7P4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are eight inequivalent Hf sites. In the first Hf site, Hf is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.68 Å) and one longer (3.10 Å) Hf–P bond lengths. In the second Hf site, Hf is bonded to five P atoms to form a mixture of distorted edge, face, and corner-sharing HfP5 trigonal bipyramids. There are one shorter (2.62 Å) and four longer (2.68 Å) Hf–P bond lengths. In the third Hf site, Hf is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Hf–P bond distances ranging from 2.69–3.04 Å. In the fourth Hf site, Hf is bonded to five P atoms to form a mixture of distorted edge, face, and corner-sharing HfP5 trigonal bipyramids. There are a spread of Hf–P bond distances ranging from 2.57–2.71 Å. In the fifth Hf site, Hf is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Hf–P bond distances ranging from 2.61–2.87 Å. In the sixth Hf site, Hf is bonded in a 4-coordinate geometry to five P atoms. There are a spread of Hf–P bond distances ranging from 2.69–3.29 Å. In the seventh Hf site, Hf is bonded in a square co-planar geometry to four P atoms. There are two shorter (2.71 Å) and two longer (2.73 Å) Hf–P bond lengths. In the eighth Hf site, Hf is bonded in a distorted square co-planar geometry to four P atoms. There are two shorter (2.60 Å) and two longer (2.85 Å) Hf–P bond lengths. There are four inequivalent P sites. In the first P site, P is bonded in a 7-coordinate geometry to nine Hf atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Hf atoms. In the third P site, P is bonded to seven Hf atoms to form a mixture of distorted edge and corner-sharing PHf7 pentagonal bipyramids. In the fourth P site, P is bonded in a 8-coordinate geometry to eight Hf atoms.},
doi = {10.17188/1193274},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}