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Title: Materials Data on ZnI2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1201374· OSTI ID:1201374

ZnI2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two ZnI2 frameworks. Zn2+ is bonded to four I1- atoms to form corner-sharing ZnI4 tetrahedra. There are a spread of Zn–I bond distances ranging from 2.64–2.67 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two equivalent Zn2+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Zn2+ atoms. In the third I1- site, I1- is bonded in a bent 120 degrees geometry to two 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:
1201374
Report Number(s):
mp-27161
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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