Materials Data on Sc2NCl2 by Materials Project
Sc2NCl2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Sc2NCl2 sheet oriented in the (0, 0, 1) direction. Sc+2.50+ is bonded to three equivalent N3- and three equivalent Cl1- atoms to form a mixture of edge and corner-sharing ScN3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–N bond lengths are 2.28 Å. All Sc–Cl bond lengths are 2.58 Å. N3- is bonded to six equivalent Sc+2.50+ atoms to form edge-sharing NSc6 octahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Sc+2.50+ atoms.
36 MATERIALS SCIENCE↗