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Materials Data on InI2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1203679· OSTI ID:1203679
InI2 crystallizes in the orthorhombic Pnna space group. The structure is one-dimensional and consists of two InI2 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent In2+ sites. In the first In2+ site, In2+ is bonded in a tetrahedral geometry to four I1- atoms. There are two shorter (2.76 Å) and two longer (2.78 Å) In–I bond lengths. In the second In2+ site, In2+ is bonded in a 4-coordinate geometry to four I1- atoms. There are two shorter (3.62 Å) and two longer (3.64 Å) In–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to two In2+ atoms. In the second I1- site, I1- is bonded in a distorted single-bond geometry to two In2+ atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1203679
Report Number(s):
mp-29312
Country of Publication:
United States
Language:
English

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