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Title: Materials Data on CuNi2Sb by Materials Project

Abstract

Ni2CuSb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ni1+ is bonded to four equivalent Sb3- atoms to form NiSb4 tetrahedra that share corners with twelve equivalent CuSb6 octahedra, corners with sixteen equivalent NiSb4 tetrahedra, edges with six equivalent NiSb4 tetrahedra, and faces with four equivalent CuSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ni–Sb bond lengths are 2.59 Å. Cu1+ is bonded to six equivalent Sb3- atoms to form distorted CuSb6 octahedra that share corners with six equivalent CuSb6 octahedra, corners with twenty-four equivalent NiSb4 tetrahedra, edges with twelve equivalent CuSb6 octahedra, and faces with eight equivalent NiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Sb bond lengths are 2.99 Å. Sb3- is bonded in a distorted body-centered cubic geometry to eight equivalent Ni1+ and six equivalent Cu1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-30069
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; CuNi2Sb; Cu-Ni-Sb
OSTI Identifier:
1204495
DOI:
https://doi.org/10.17188/1204495

Citation Formats

The Materials Project. Materials Data on CuNi2Sb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204495.
The Materials Project. Materials Data on CuNi2Sb by Materials Project. United States. doi:https://doi.org/10.17188/1204495
The Materials Project. 2020. "Materials Data on CuNi2Sb by Materials Project". United States. doi:https://doi.org/10.17188/1204495. https://www.osti.gov/servlets/purl/1204495. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204495,
title = {Materials Data on CuNi2Sb by Materials Project},
author = {The Materials Project},
abstractNote = {Ni2CuSb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ni1+ is bonded to four equivalent Sb3- atoms to form NiSb4 tetrahedra that share corners with twelve equivalent CuSb6 octahedra, corners with sixteen equivalent NiSb4 tetrahedra, edges with six equivalent NiSb4 tetrahedra, and faces with four equivalent CuSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ni–Sb bond lengths are 2.59 Å. Cu1+ is bonded to six equivalent Sb3- atoms to form distorted CuSb6 octahedra that share corners with six equivalent CuSb6 octahedra, corners with twenty-four equivalent NiSb4 tetrahedra, edges with twelve equivalent CuSb6 octahedra, and faces with eight equivalent NiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Sb bond lengths are 2.99 Å. Sb3- is bonded in a distorted body-centered cubic geometry to eight equivalent Ni1+ and six equivalent Cu1+ atoms.},
doi = {10.17188/1204495},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}