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Title: Materials Data on HfTaB4 by Materials Project

Abstract

HfTaB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf is bonded to twelve equivalent B atoms to form HfB12 cuboctahedra that share edges with twelve equivalent TaB12 cuboctahedra, faces with two equivalent TaB12 cuboctahedra, and faces with six equivalent HfB12 cuboctahedra. All Hf–B bond lengths are 2.51 Å. Ta is bonded to twelve equivalent B atoms to form TaB12 cuboctahedra that share edges with twelve equivalent HfB12 cuboctahedra, faces with two equivalent HfB12 cuboctahedra, and faces with six equivalent TaB12 cuboctahedra. All Ta–B bond lengths are 2.45 Å. B is bonded in a 9-coordinate geometry to three equivalent Hf, three equivalent Ta, and three equivalent B atoms. All B–B bond lengths are 1.80 Å.

Authors:
Publication Date:
Other Number(s):
mp-1224283
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; HfTaB4; B-Hf-Ta
OSTI Identifier:
1679382
DOI:
https://doi.org/10.17188/1679382

Citation Formats

The Materials Project. Materials Data on HfTaB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679382.
The Materials Project. Materials Data on HfTaB4 by Materials Project. United States. doi:https://doi.org/10.17188/1679382
The Materials Project. 2020. "Materials Data on HfTaB4 by Materials Project". United States. doi:https://doi.org/10.17188/1679382. https://www.osti.gov/servlets/purl/1679382. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1679382,
title = {Materials Data on HfTaB4 by Materials Project},
author = {The Materials Project},
abstractNote = {HfTaB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf is bonded to twelve equivalent B atoms to form HfB12 cuboctahedra that share edges with twelve equivalent TaB12 cuboctahedra, faces with two equivalent TaB12 cuboctahedra, and faces with six equivalent HfB12 cuboctahedra. All Hf–B bond lengths are 2.51 Å. Ta is bonded to twelve equivalent B atoms to form TaB12 cuboctahedra that share edges with twelve equivalent HfB12 cuboctahedra, faces with two equivalent HfB12 cuboctahedra, and faces with six equivalent TaB12 cuboctahedra. All Ta–B bond lengths are 2.45 Å. B is bonded in a 9-coordinate geometry to three equivalent Hf, three equivalent Ta, and three equivalent B atoms. All B–B bond lengths are 1.80 Å.},
doi = {10.17188/1679382},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}