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Title: Materials Data on Ti2FeNiSb2 by Materials Project

Abstract

Ti2FeNiSb2 is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 10-coordinate geometry to three equivalent Fe, one Ni, and six Sb atoms. All Ti–Fe bond lengths are 2.57 Å. The Ti–Ni bond length is 2.63 Å. There are three shorter (2.90 Å) and three longer (2.98 Å) Ti–Sb bond lengths. In the second Ti site, Ti is bonded in a 4-coordinate geometry to one Fe, three equivalent Ni, and six Sb atoms. The Ti–Fe bond length is 2.42 Å. All Ti–Ni bond lengths are 2.59 Å. There are three shorter (2.95 Å) and three longer (3.03 Å) Ti–Sb bond lengths. Fe is bonded in a body-centered cubic geometry to four Ti and four Sb atoms. There are three shorter (2.54 Å) and one longer (2.57 Å) Fe–Sb bond lengths. Ni is bonded in a body-centered cubic geometry to four Ti and four Sb atoms. There are one shorter (2.58 Å) and three longer (2.59 Å) Ni–Sb bond lengths. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to sixmore » Ti, one Fe, and three equivalent Ni atoms. In the second Sb site, Sb is bonded in a 10-coordinate geometry to six Ti, three equivalent Fe, and one Ni atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1217120
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; Ti2FeNiSb2; Fe-Ni-Sb-Ti
OSTI Identifier:
1739090
DOI:
https://doi.org/10.17188/1739090

Citation Formats

The Materials Project. Materials Data on Ti2FeNiSb2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1739090.
The Materials Project. Materials Data on Ti2FeNiSb2 by Materials Project. United States. doi:https://doi.org/10.17188/1739090
The Materials Project. 2020. "Materials Data on Ti2FeNiSb2 by Materials Project". United States. doi:https://doi.org/10.17188/1739090. https://www.osti.gov/servlets/purl/1739090. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1739090,
title = {Materials Data on Ti2FeNiSb2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti2FeNiSb2 is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 10-coordinate geometry to three equivalent Fe, one Ni, and six Sb atoms. All Ti–Fe bond lengths are 2.57 Å. The Ti–Ni bond length is 2.63 Å. There are three shorter (2.90 Å) and three longer (2.98 Å) Ti–Sb bond lengths. In the second Ti site, Ti is bonded in a 4-coordinate geometry to one Fe, three equivalent Ni, and six Sb atoms. The Ti–Fe bond length is 2.42 Å. All Ti–Ni bond lengths are 2.59 Å. There are three shorter (2.95 Å) and three longer (3.03 Å) Ti–Sb bond lengths. Fe is bonded in a body-centered cubic geometry to four Ti and four Sb atoms. There are three shorter (2.54 Å) and one longer (2.57 Å) Fe–Sb bond lengths. Ni is bonded in a body-centered cubic geometry to four Ti and four Sb atoms. There are one shorter (2.58 Å) and three longer (2.59 Å) Ni–Sb bond lengths. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to six Ti, one Fe, and three equivalent Ni atoms. In the second Sb site, Sb is bonded in a 10-coordinate geometry to six Ti, three equivalent Fe, and one Ni atom.},
doi = {10.17188/1739090},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}