DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Hf9AsW4 by Materials Project

Abstract

Hf9W4As 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 2-coordinate geometry to four W and one As atom. There are a spread of Hf–W bond distances ranging from 2.88–3.11 Å. The Hf–As bond length is 2.74 Å. In the second Hf site, Hf is bonded in a distorted T-shaped geometry to two equivalent W and one As atom. Both Hf–W bond lengths are 2.92 Å. The Hf–As bond length is 3.12 Å. There are two inequivalent W sites. In the first W site, W is bonded to six equivalent Hf and six equivalent W atoms to form face-sharing WHf6W6 cuboctahedra. All W–W bond lengths are 2.74 Å. In the second W site, W is bonded in a 12-coordinate geometry to eight Hf and four W atoms. Both W–W bond lengths are 2.87 Å. As is bonded in a 9-coordinate geometry to nine Hf atoms.

Authors:
Publication Date:
Other Number(s):
mp-973675
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; Hf9AsW4; As-Hf-W
OSTI Identifier:
1314185
DOI:
https://doi.org/10.17188/1314185

Citation Formats

The Materials Project. Materials Data on Hf9AsW4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314185.
The Materials Project. Materials Data on Hf9AsW4 by Materials Project. United States. doi:https://doi.org/10.17188/1314185
The Materials Project. 2020. "Materials Data on Hf9AsW4 by Materials Project". United States. doi:https://doi.org/10.17188/1314185. https://www.osti.gov/servlets/purl/1314185. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1314185,
title = {Materials Data on Hf9AsW4 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf9W4As 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 2-coordinate geometry to four W and one As atom. There are a spread of Hf–W bond distances ranging from 2.88–3.11 Å. The Hf–As bond length is 2.74 Å. In the second Hf site, Hf is bonded in a distorted T-shaped geometry to two equivalent W and one As atom. Both Hf–W bond lengths are 2.92 Å. The Hf–As bond length is 3.12 Å. There are two inequivalent W sites. In the first W site, W is bonded to six equivalent Hf and six equivalent W atoms to form face-sharing WHf6W6 cuboctahedra. All W–W bond lengths are 2.74 Å. In the second W site, W is bonded in a 12-coordinate geometry to eight Hf and four W atoms. Both W–W bond lengths are 2.87 Å. As is bonded in a 9-coordinate geometry to nine Hf atoms.},
doi = {10.17188/1314185},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}