Materials Data on Al(CN)3 by Materials Project
Al(CN)3 is Modderite-derived structured and crystallizes in the tetragonal P-42_1m space group. The structure is zero-dimensional and consists of two Al(CN)3 clusters. Al3+ is bonded in a T-shaped geometry to three N3- atoms. There is one shorter (1.96 Å) and two longer (1.97 Å) Al–N bond length. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Al3+ and one C2+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Al3+ and one C2+ 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:
- 1206983
- Report Number(s):
- mp-35327
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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