Materials Data on SbI3(BrCl3)2 by Materials Project
SbI3(BrCl3)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one SbI3(BrCl3)2 ribbon oriented in the (0, 1, 1) direction. Sb5+ is bonded to six Cl1- atoms to form SbCl6 octahedra that share edges with two equivalent II2Cl4 octahedra. There are a spread of Sb–Cl bond distances ranging from 2.38–2.49 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted linear geometry to one I1-, one Br2+, and one Cl1- atom. The I–I bond length is 2.94 Å. The I–Br bond length is 2.54 Å. The I–Cl bond length is 2.91 Å. In the second I1- site, I1- is bonded to two equivalent I1- and four Cl1- atoms to form distorted II2Cl4 octahedra that share edges with two equivalent SbCl6 octahedra. There are two shorter (4.17 Å) and two longer (4.28 Å) I–Cl bond lengths. Br2+ is bonded in a single-bond geometry to one I1- atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Sb5+ and two I1- atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ and one I1- atom. In the third 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:
- 1276025
- Report Number(s):
- mp-570962
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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