Perowskit‐Nitride (A₃N_x)E mit A = Sr, Ba und E = Sb, Bi (x = 1), E = Sn, Pb (x < 1)

Alkaline‐earth Metal Nitrides of the Main‐Group Elements: Crystal Structures and Properties of Inverse Perovskites

“…Similar results were obtained for the cubic compounds (Sr 3 N)E with E = Sb, Bi with nearly identical DOS representations. [21,70] The calculations result in insulating behavior with bandgaps of about ΔE = 0.15 eV. For the hexagonal Perov-skites (Ba 3 N)E with E = Sb, Bi bandgaps of ΔE = 0.5 eV were obtained.…”

“…[68,69] Originally the cubic calcium Perovskites with E = Ge, Sn, Pb were reported with the composition (Ca 3 N)E, [18] later the systems Sr,Ba-Sn,Pb-N were exemplarily studied in deeper detail indicating the formation of further cubic Perovskites but with a nitrogen deficiency according to (A 3 N x )E. [20,70] DTA/ TG measurements on melt beads with the general composition "A 3 E" in nitrogen atmosphere already indicated the uptake of less than one equivalent nitrogen per "A 3 Sn,Pb" composition. The weight gain typically corresponds to an uptake of about 2 / 3 equivalents nitrogen per formula unit "A 3 E".…”

“…[75][76][77] [24,27,28] Cubic (anti)Perovskite nitrides with group 15 elements have been reported for the systems (Mg 3 N)E with E = As, Sb, [19] (Ca 3 N)E with E = P, As, Sb, Bi, [18] and (Sr 3 N)E with E = Sb, Bi. [21,70] Table 1 gathers selected interatomic distances. For (Ca 3 N)P and (Ca 3 N)As distortions from cubic to the orthorhombic GdFeO 3 structure type were observed at ambient conditions (space group Pnma).…”