Materials Data on AlSiCN by Materials Project
SiCAlN is Stannite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Al3+ is bonded to one C4- and three equivalent N3- atoms to form AlCN3 tetrahedra that share corners with six equivalent AlCN3 tetrahedra and corners with six equivalent SiC3N tetrahedra. The Al–C bond length is 2.02 Å. All Al–N bond lengths are 1.91 Å. Si4+ is bonded to three equivalent C4- and one N3- atom to form SiC3N tetrahedra that share corners with six equivalent AlCN3 tetrahedra and corners with six equivalent SiC3N tetrahedra. All Si–C bond lengths are 1.88 Å. The Si–N bond length is 1.82 Å. C4- is bonded to one Al3+ and three equivalent Si4+ atoms to form CAlSi3 tetrahedra that share corners with six equivalent CAlSi3 tetrahedra and corners with six equivalent NAl3Si tetrahedra. N3- is bonded to three equivalent Al3+ and one Si4+ atom to form NAl3Si tetrahedra that share corners with six equivalent CAlSi3 tetrahedra and corners with six equivalent NAl3Si tetrahedra.