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Title: Materials Data on Hf2InNi2Sb by Materials Project

Abstract

Hf2Ni2InSb is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 4-coordinate geometry to six Ni, three equivalent In, and one Sb atom. There are three shorter (3.11 Å) and three longer (3.24 Å) Hf–Ni bond lengths. All Hf–In bond lengths are 2.69 Å. The Hf–Sb bond length is 2.81 Å. In the second Hf site, Hf is bonded in a 4-coordinate geometry to six Ni, one In, and three equivalent Sb atoms. There are three shorter (3.09 Å) and three longer (3.24 Å) Hf–Ni bond lengths. The Hf–In bond length is 2.68 Å. All Hf–Sb bond lengths are 2.81 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to six Hf, one In, and three equivalent Sb atoms. The Ni–In bond length is 2.69 Å. All Ni–Sb bond lengths are 2.72 Å. In the second Ni site, Ni is bonded in a distorted q6 geometry to six Hf, three equivalent In, and one Sb atom. All Ni–In bond lengths are 2.77 Å. The Ni–Sb bond length is 2.78more » Å. In is bonded in a body-centered cubic geometry to four Hf and four Ni atoms. Sb is bonded in a body-centered cubic geometry to four Hf and four Ni atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1224659
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; Hf2InNi2Sb; Hf-In-Ni-Sb
OSTI Identifier:
1672930
DOI:
https://doi.org/10.17188/1672930

Citation Formats

The Materials Project. Materials Data on Hf2InNi2Sb by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672930.
The Materials Project. Materials Data on Hf2InNi2Sb by Materials Project. United States. doi:https://doi.org/10.17188/1672930
The Materials Project. 2019. "Materials Data on Hf2InNi2Sb by Materials Project". United States. doi:https://doi.org/10.17188/1672930. https://www.osti.gov/servlets/purl/1672930. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1672930,
title = {Materials Data on Hf2InNi2Sb by Materials Project},
author = {The Materials Project},
abstractNote = {Hf2Ni2InSb is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 4-coordinate geometry to six Ni, three equivalent In, and one Sb atom. There are three shorter (3.11 Å) and three longer (3.24 Å) Hf–Ni bond lengths. All Hf–In bond lengths are 2.69 Å. The Hf–Sb bond length is 2.81 Å. In the second Hf site, Hf is bonded in a 4-coordinate geometry to six Ni, one In, and three equivalent Sb atoms. There are three shorter (3.09 Å) and three longer (3.24 Å) Hf–Ni bond lengths. The Hf–In bond length is 2.68 Å. All Hf–Sb bond lengths are 2.81 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to six Hf, one In, and three equivalent Sb atoms. The Ni–In bond length is 2.69 Å. All Ni–Sb bond lengths are 2.72 Å. In the second Ni site, Ni is bonded in a distorted q6 geometry to six Hf, three equivalent In, and one Sb atom. All Ni–In bond lengths are 2.77 Å. The Ni–Sb bond length is 2.78 Å. In is bonded in a body-centered cubic geometry to four Hf and four Ni atoms. Sb is bonded in a body-centered cubic geometry to four Hf and four Ni atoms.},
doi = {10.17188/1672930},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}