Title: Materials Data on Hf3P by Materials Project

Abstract

Hf3P crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Hf sites. In the first Hf site, Hf is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. There are one shorter (2.70 Å) and one longer (2.76 Å) Hf–P bond lengths. In the second Hf site, Hf is bonded in a distorted see-saw-like geometry to four equivalent P atoms. There are a spread of Hf–P bond distances ranging from 2.72–2.80 Å. In the third Hf site, Hf is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Hf–P bond distances ranging from 2.67–2.82 Å. P is bonded in a 9-coordinate geometry to nine Hf atoms.

Publication Date:
Other Number(s):
mp-504812
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; crystal structure; Hf-P; Hf3P
OSTI Identifier:
1262071
DOI:
https://doi.org/10.17188/1262071

Citation Formats

Materials Data on Hf3P by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262071.
Copy to clipboard
Materials Data on Hf3P by Materials Project. United States. doi:https://doi.org/10.17188/1262071
Copy to clipboard
2020. "Materials Data on Hf3P by Materials Project". United States. doi:https://doi.org/10.17188/1262071. https://www.osti.gov/servlets/purl/1262071. Pub date:Tue Jul 21 20:00:00 EDT 2020
Copy to clipboard
@article{osti_1262071,
title = {Materials Data on Hf3P by Materials Project},
abstractNote = {Hf3P crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Hf sites. In the first Hf site, Hf is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. There are one shorter (2.70 Å) and one longer (2.76 Å) Hf–P bond lengths. In the second Hf site, Hf is bonded in a distorted see-saw-like geometry to four equivalent P atoms. There are a spread of Hf–P bond distances ranging from 2.72–2.80 Å. In the third Hf site, Hf is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Hf–P bond distances ranging from 2.67–2.82 Å. P is bonded in a 9-coordinate geometry to nine Hf atoms.},
doi = {10.17188/1262071},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Copy to clipboard
Dataset:
View Dataset
DOI: https://doi.org/10.17188/1262071
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Similar records in DOE Data Explorer and OSTI.GOV collections: