Materials Data on Al2CO by Materials Project

Abstract

Al2OC crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to two equivalent C4- and three equivalent O2- atoms to form AlC2O3 trigonal bipyramids that share corners with eight equivalent AlC2O3 trigonal bipyramids and edges with six equivalent AlC3O2 trigonal bipyramids. There are one shorter (2.04 Å) and one longer (2.05 Å) Al–C bond lengths. All Al–O bond lengths are 2.01 Å. In the second Al3+ site, Al3+ is bonded to three equivalent C4- and two equivalent O2- atoms to form AlC3O2 trigonal bipyramids that share corners with eight equivalent AlC3O2 trigonal bipyramids and edges with six equivalent AlC2O3 trigonal bipyramids. All Al–C bond lengths are 2.01 Å. There are one shorter (2.04 Å) and one longer (2.05 Å) Al–O bond lengths. C4- is bonded to five Al3+ atoms to form CAl5 trigonal bipyramids that share corners with eight equivalent CAl5 trigonal bipyramids and edges with six equivalent OAl5 trigonal bipyramids. O2- is bonded to five Al3+ atoms to form OAl5 trigonal bipyramids that share corners with eight equivalent OAl5 trigonal bipyramids and edges with six equivalent CAl5 trigonal bipyramids.