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Title: Materials Data on Zn3Ni by Materials Project

Abstract

NiZn3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ni is bonded to twelve Zn atoms to form NiZn12 cuboctahedra that share corners with four equivalent NiZn12 cuboctahedra, corners with eight equivalent ZnZn8Ni4 cuboctahedra, edges with eight equivalent NiZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Ni4 cuboctahedra, faces with four equivalent NiZn12 cuboctahedra, and faces with fourteen ZnZn8Ni4 cuboctahedra. There are four shorter (2.59 Å) and eight longer (2.69 Å) Ni–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Ni and eight Zn atoms to form ZnZn8Ni4 cuboctahedra that share corners with twelve equivalent ZnZn8Ni4 cuboctahedra, edges with eight equivalent NiZn12 cuboctahedra, edges with sixteen ZnZn8Ni4 cuboctahedra, faces with four equivalent NiZn12 cuboctahedra, and faces with fourteen ZnZn8Ni4 cuboctahedra. There are four shorter (2.59 Å) and four longer (2.69 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four equivalent Ni and eight equivalent Zn atoms to form distorted ZnZn8Ni4 cuboctahedra that share corners with four equivalent ZnZn8Ni4 cuboctahedra, corners with eight equivalent NiZn12 cuboctahedra, edges with twenty-four ZnZn8Ni4 cuboctahedra, faces with six equivalent NiZn12 cuboctahedra, and facesmore » with twelve ZnZn8Ni4 cuboctahedra.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1313677
Report Number(s):
mp-971941
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Zn3Ni; Ni-Zn

Citation Formats

The Materials Project. Materials Data on Zn3Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313677.
The Materials Project. Materials Data on Zn3Ni by Materials Project. United States. https://doi.org/10.17188/1313677
The Materials Project. 2020. "Materials Data on Zn3Ni by Materials Project". United States. https://doi.org/10.17188/1313677. https://www.osti.gov/servlets/purl/1313677.
@article{osti_1313677,
title = {Materials Data on Zn3Ni by Materials Project},
author = {The Materials Project},
abstractNote = {NiZn3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ni is bonded to twelve Zn atoms to form NiZn12 cuboctahedra that share corners with four equivalent NiZn12 cuboctahedra, corners with eight equivalent ZnZn8Ni4 cuboctahedra, edges with eight equivalent NiZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Ni4 cuboctahedra, faces with four equivalent NiZn12 cuboctahedra, and faces with fourteen ZnZn8Ni4 cuboctahedra. There are four shorter (2.59 Å) and eight longer (2.69 Å) Ni–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Ni and eight Zn atoms to form ZnZn8Ni4 cuboctahedra that share corners with twelve equivalent ZnZn8Ni4 cuboctahedra, edges with eight equivalent NiZn12 cuboctahedra, edges with sixteen ZnZn8Ni4 cuboctahedra, faces with four equivalent NiZn12 cuboctahedra, and faces with fourteen ZnZn8Ni4 cuboctahedra. There are four shorter (2.59 Å) and four longer (2.69 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four equivalent Ni and eight equivalent Zn atoms to form distorted ZnZn8Ni4 cuboctahedra that share corners with four equivalent ZnZn8Ni4 cuboctahedra, corners with eight equivalent NiZn12 cuboctahedra, edges with twenty-four ZnZn8Ni4 cuboctahedra, faces with six equivalent NiZn12 cuboctahedra, and faces with twelve ZnZn8Ni4 cuboctahedra.},
doi = {10.17188/1313677},
url = {https://www.osti.gov/biblio/1313677}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}