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Title: Materials Data on InI3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274044· OSTI ID:1274044

InI3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two InI3 clusters. In3+ is bonded to four I1- atoms to form edge-sharing InI4 tetrahedra. There are two shorter (2.69 Å) and two longer (2.89 Å) In–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the second I1- site, I1- is bonded in an L-shaped geometry to two equivalent In3+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one In3+ atom.

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:
1274044
Report Number(s):
mp-567789
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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