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Title: Materials Data on ZnSiNi2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1673098· OSTI ID:1673098

Ni2ZnSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ni1+ is bonded to four equivalent Si4- atoms to form a mixture of distorted corner and edge-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.46 Å. Zn2+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. All Zn–Si bond lengths are 2.85 Å. Si4- is bonded in a 8-coordinate geometry to eight equivalent Ni1+ and six equivalent Zn2+ atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1673098
Report Number(s):
mp-1206365
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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