Materials Data on Al4CN3O by Materials Project
Al4CN3O crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to one C2-, two N+2.67-, and one O2- atom to form a mixture of distorted edge and corner-sharing AlCN2O tetrahedra. The Al–C bond length is 1.98 Å. There is one shorter (1.89 Å) and one longer (1.93 Å) Al–N bond length. The Al–O bond length is 1.83 Å. In the second Al3+ site, Al3+ is bonded to one C2- and three N+2.67- atoms to form corner-sharing AlCN3 tetrahedra. The Al–C bond length is 2.04 Å. There is two shorter (1.87 Å) and one longer (1.88 Å) Al–N bond length. In the third Al3+ site, Al3+ is bonded to one C2-, two equivalent N+2.67-, and one O2- atom to form corner-sharing AlCN2O tetrahedra. The Al–C bond length is 2.02 Å. Both Al–N bond lengths are 1.87 Å. The Al–O bond length is 1.78 Å. C2- is bonded in a tetrahedral geometry to four Al3+ atoms. There are two inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded in a trigonal planar geometry to three Al3+ atoms. In the second N+2.67- site, N+2.67- is bonded in a distorted T-shaped geometry to three Al3+ atoms. O2- is bonded in a distorted T-shaped geometry to three Al3+ atoms.
- 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:
- 1187501
- Report Number(s):
- mp-10990
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Nd3Al3Si3(NO6)2 by Materials Project
Materials Data on Al7(CN)3 by Materials Project