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Title: Materials Data on Zn3SiNi2 by Materials Project

Abstract

Ni2SiZn3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ni is bonded in a 12-coordinate geometry to three equivalent Ni, six equivalent Zn, and three equivalent Si atoms. All Ni–Ni bond lengths are 2.59 Å. There are three shorter (2.50 Å) and three longer (2.76 Å) Ni–Zn bond lengths. All Ni–Si bond lengths are 2.33 Å. Zn is bonded in a 2-coordinate geometry to four equivalent Ni, eight equivalent Zn, and two equivalent Si atoms. There are four shorter (2.83 Å) and four longer (2.84 Å) Zn–Zn bond lengths. Both Zn–Si bond lengths are 2.76 Å. Si is bonded to six equivalent Ni and six equivalent Zn atoms to form face-sharing SiZn6Ni6 cuboctahedra.

Publication Date:
Other Number(s):
mp-17260
DOE Contract Number:  
AC02-05CH11231
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Ni-Si-Zn; Zn3SiNi2; crystal structure
OSTI Identifier:
1192420
DOI:
https://doi.org/10.17188/1192420

Citation Formats

Materials Data on Zn3SiNi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192420.
Materials Data on Zn3SiNi2 by Materials Project. United States. doi:https://doi.org/10.17188/1192420
2020. "Materials Data on Zn3SiNi2 by Materials Project". United States. doi:https://doi.org/10.17188/1192420. https://www.osti.gov/servlets/purl/1192420. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1192420,
title = {Materials Data on Zn3SiNi2 by Materials Project},
abstractNote = {Ni2SiZn3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ni is bonded in a 12-coordinate geometry to three equivalent Ni, six equivalent Zn, and three equivalent Si atoms. All Ni–Ni bond lengths are 2.59 Å. There are three shorter (2.50 Å) and three longer (2.76 Å) Ni–Zn bond lengths. All Ni–Si bond lengths are 2.33 Å. Zn is bonded in a 2-coordinate geometry to four equivalent Ni, eight equivalent Zn, and two equivalent Si atoms. There are four shorter (2.83 Å) and four longer (2.84 Å) Zn–Zn bond lengths. Both Zn–Si bond lengths are 2.76 Å. Si is bonded to six equivalent Ni and six equivalent Zn atoms to form face-sharing SiZn6Ni6 cuboctahedra.},
doi = {10.17188/1192420},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}