Materials Data on Al(ICl2)3 by Materials Project
Al(ICl3)2I crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight hydriodic acid molecules and eight Al(ICl3)2 clusters. In each Al(ICl3)2 cluster, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.11–2.22 Å. There are two inequivalent I1+ sites. In the first I1+ site, I1+ is bonded in a linear geometry to two Cl1- atoms. There are one shorter (2.38 Å) and one longer (2.86 Å) I–Cl bond lengths. In the second I1+ site, I1+ is bonded in a linear geometry to two Cl1- atoms. There are one shorter (2.37 Å) and one longer (2.90 Å) I–Cl bond lengths. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Al3+ and one I1+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Al3+ and one I1+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one I1+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one I1+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ 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:
- 1281862
- Report Number(s):
- mp-672352
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on ZnH12(IN2)2 by Materials Project
Materials Data on Cr2H21I7(N2O)3 by Materials Project