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Title: Materials Data on TiCuNi2 by Materials Project

Abstract

TiNi2Cu is beta Cu3Ti-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ni and four equivalent Cu atoms to form TiCu4Ni8 cuboctahedra that share corners with four equivalent TiCu4Ni8 cuboctahedra, corners with eight equivalent CuTi4Ni8 cuboctahedra, edges with eight equivalent TiCu4Ni8 cuboctahedra, edges with sixteen equivalent NiTi4Cu4Ni4 cuboctahedra, faces with four equivalent TiCu4Ni8 cuboctahedra, faces with six equivalent CuTi4Ni8 cuboctahedra, and faces with eight equivalent NiTi4Cu4Ni4 cuboctahedra. All Ti–Ni bond lengths are 2.56 Å. All Ti–Cu bond lengths are 2.60 Å. Ni is bonded to four equivalent Ti, four equivalent Ni, and four equivalent Cu atoms to form distorted NiTi4Cu4Ni4 cuboctahedra that share corners with twelve equivalent NiTi4Cu4Ni4 cuboctahedra, edges with eight equivalent TiCu4Ni8 cuboctahedra, edges with eight equivalent NiTi4Cu4Ni4 cuboctahedra, edges with eight equivalent CuTi4Ni8 cuboctahedra, faces with four equivalent TiCu4Ni8 cuboctahedra, faces with four equivalent CuTi4Ni8 cuboctahedra, and faces with ten equivalent NiTi4Cu4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.60 Å. All Ni–Cu bond lengths are 2.56 Å. Cu is bonded to four equivalent Ti and eight equivalent Ni atoms to form CuTi4Ni8 cuboctahedra that share corners with four equivalent CuTi4Ni8 cuboctahedra, corners with eight equivalent TiCu4Ni8more » cuboctahedra, edges with eight equivalent CuTi4Ni8 cuboctahedra, edges with sixteen equivalent NiTi4Cu4Ni4 cuboctahedra, faces with four equivalent CuTi4Ni8 cuboctahedra, faces with six equivalent TiCu4Ni8 cuboctahedra, and faces with eight equivalent NiTi4Cu4Ni4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1207070
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; TiCuNi2; Cu-Ni-Ti
OSTI Identifier:
1685744
DOI:
https://doi.org/10.17188/1685744

Citation Formats

The Materials Project. Materials Data on TiCuNi2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685744.
The Materials Project. Materials Data on TiCuNi2 by Materials Project. United States. doi:https://doi.org/10.17188/1685744
The Materials Project. 2019. "Materials Data on TiCuNi2 by Materials Project". United States. doi:https://doi.org/10.17188/1685744. https://www.osti.gov/servlets/purl/1685744. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1685744,
title = {Materials Data on TiCuNi2 by Materials Project},
author = {The Materials Project},
abstractNote = {TiNi2Cu is beta Cu3Ti-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ni and four equivalent Cu atoms to form TiCu4Ni8 cuboctahedra that share corners with four equivalent TiCu4Ni8 cuboctahedra, corners with eight equivalent CuTi4Ni8 cuboctahedra, edges with eight equivalent TiCu4Ni8 cuboctahedra, edges with sixteen equivalent NiTi4Cu4Ni4 cuboctahedra, faces with four equivalent TiCu4Ni8 cuboctahedra, faces with six equivalent CuTi4Ni8 cuboctahedra, and faces with eight equivalent NiTi4Cu4Ni4 cuboctahedra. All Ti–Ni bond lengths are 2.56 Å. All Ti–Cu bond lengths are 2.60 Å. Ni is bonded to four equivalent Ti, four equivalent Ni, and four equivalent Cu atoms to form distorted NiTi4Cu4Ni4 cuboctahedra that share corners with twelve equivalent NiTi4Cu4Ni4 cuboctahedra, edges with eight equivalent TiCu4Ni8 cuboctahedra, edges with eight equivalent NiTi4Cu4Ni4 cuboctahedra, edges with eight equivalent CuTi4Ni8 cuboctahedra, faces with four equivalent TiCu4Ni8 cuboctahedra, faces with four equivalent CuTi4Ni8 cuboctahedra, and faces with ten equivalent NiTi4Cu4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.60 Å. All Ni–Cu bond lengths are 2.56 Å. Cu is bonded to four equivalent Ti and eight equivalent Ni atoms to form CuTi4Ni8 cuboctahedra that share corners with four equivalent CuTi4Ni8 cuboctahedra, corners with eight equivalent TiCu4Ni8 cuboctahedra, edges with eight equivalent CuTi4Ni8 cuboctahedra, edges with sixteen equivalent NiTi4Cu4Ni4 cuboctahedra, faces with four equivalent CuTi4Ni8 cuboctahedra, faces with six equivalent TiCu4Ni8 cuboctahedra, and faces with eight equivalent NiTi4Cu4Ni4 cuboctahedra.},
doi = {10.17188/1685744},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}