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Title: Materials Data on LiZn3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1311085· OSTI ID:1311085

LiZn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to fourteen Zn atoms. There are eight shorter (2.66 Å) and six longer (3.07 Å) Li–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Li and four equivalent Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnLi4Zn4 tetrahedra. All Zn–Zn bond lengths are 2.66 Å. In the second Zn site, Zn is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Zn 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:
1311085
Report Number(s):
mp-865907
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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