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Title: Materials Data on Hf9CoMo4 by Materials Project

Abstract

Hf9Mo4Co 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 Mo and one Co atom. There are a spread of Hf–Mo bond distances ranging from 2.92–3.09 Å. The Hf–Co bond length is 2.56 Å. In the second Hf site, Hf is bonded in a 2-coordinate geometry to two equivalent Mo atoms. Both Hf–Mo bond lengths are 2.89 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded to six equivalent Hf and six equivalent Mo atoms to form face-sharing MoHf6Mo6 cuboctahedra. All Mo–Mo bond lengths are 2.69 Å. In the second Mo site, Mo is bonded in a 12-coordinate geometry to eight Hf and four Mo atoms. Both Mo–Mo bond lengths are 2.91 Å. Co is bonded in a 6-coordinate geometry to six equivalent Hf atoms.

Authors:
Publication Date:
Other Number(s):
mp-973612
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; Hf9CoMo4; Co-Hf-Mo
OSTI Identifier:
1314156
DOI:
https://doi.org/10.17188/1314156

Citation Formats

The Materials Project. Materials Data on Hf9CoMo4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314156.
The Materials Project. Materials Data on Hf9CoMo4 by Materials Project. United States. doi:https://doi.org/10.17188/1314156
The Materials Project. 2020. "Materials Data on Hf9CoMo4 by Materials Project". United States. doi:https://doi.org/10.17188/1314156. https://www.osti.gov/servlets/purl/1314156. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1314156,
title = {Materials Data on Hf9CoMo4 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf9Mo4Co 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 Mo and one Co atom. There are a spread of Hf–Mo bond distances ranging from 2.92–3.09 Å. The Hf–Co bond length is 2.56 Å. In the second Hf site, Hf is bonded in a 2-coordinate geometry to two equivalent Mo atoms. Both Hf–Mo bond lengths are 2.89 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded to six equivalent Hf and six equivalent Mo atoms to form face-sharing MoHf6Mo6 cuboctahedra. All Mo–Mo bond lengths are 2.69 Å. In the second Mo site, Mo is bonded in a 12-coordinate geometry to eight Hf and four Mo atoms. Both Mo–Mo bond lengths are 2.91 Å. Co is bonded in a 6-coordinate geometry to six equivalent Hf atoms.},
doi = {10.17188/1314156},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}