Materials Data on SbI3Cl8 by Materials Project
Sb(ICl4)2I is alpha Niobium phosphide-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one hydriodic acid molecule and one Sb(ICl4)2 cluster. In the Sb(ICl4)2 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.38–2.51 Å. I1+ is bonded in a linear geometry to two Cl1- atoms. There are one shorter (2.39 Å) and one longer (2.82 Å) I–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one I1+ atom. In the third Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Sb5+ and one I1+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ 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:
- 1199575
- Report Number(s):
- mp-23536
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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