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Title: Materials Data on Hf2(Co7B2)3 by Materials Project

Abstract

Co21Hf2B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Hf–Co bond lengths are 2.48 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Co–Co bond lengths are 2.52 Å. In the second Co site, Co is bonded to one Hf and three equivalent B atoms to form a mixture of edge and corner-sharing CoHfB3 tetrahedra. All Co–B bond lengths are 2.07 Å. In the third Co site, Co is bonded in a distorted bent 150 degrees geometry to one Co and two equivalent B atoms. Both Co–B bond lengths are 2.10 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.

Publication Date:
Other Number(s):
mp-1194066
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Hf2(Co7B2)3; B-Co-Hf
OSTI Identifier:
1727207
DOI:
https://doi.org/10.17188/1727207

Citation Formats

The Materials Project. Materials Data on Hf2(Co7B2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727207.
The Materials Project. Materials Data on Hf2(Co7B2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1727207
The Materials Project. 2020. "Materials Data on Hf2(Co7B2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1727207. https://www.osti.gov/servlets/purl/1727207. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1727207,
title = {Materials Data on Hf2(Co7B2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Co21Hf2B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Hf–Co bond lengths are 2.48 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Co–Co bond lengths are 2.52 Å. In the second Co site, Co is bonded to one Hf and three equivalent B atoms to form a mixture of edge and corner-sharing CoHfB3 tetrahedra. All Co–B bond lengths are 2.07 Å. In the third Co site, Co is bonded in a distorted bent 150 degrees geometry to one Co and two equivalent B atoms. Both Co–B bond lengths are 2.10 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.},
doi = {10.17188/1727207},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}