Materials Data on Ba3Ir(CN)3 by Materials Project
Ba3Ir(CN)3 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two Ba3Ir(CN)3 clusters. Ba2+ is bonded in a 1-coordinate geometry to one N3- atom. The Ba–N bond length is 2.78 Å. Ir5+ is bonded in a trigonal planar geometry to three equivalent C+0.67- atoms. All Ir–C bond lengths are 1.91 Å. C+0.67- is bonded in a 1-coordinate geometry to one Ir5+ and one N3- atom. The C–N bond length is 1.24 Å. N3- is bonded in a distorted single-bond geometry to one Ba2+ and one C+0.67- 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:
- 1714834
- Report Number(s):
- mp-1106080
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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