Sr2TaO3N is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Immm space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent N(1), two equivalent O(2), and five equivalent O(1) atoms. Ta(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TaN2O4 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to four equivalent Sr(1) and two equivalent Ta(1) atoms to form distorted NSr4Ta2 octahedra that share corners with two equivalent N(1)Sr4Ta2 octahedra, corners with twelve equivalent O(1)Sr5Ta octahedra, edges with two equivalent N(1)Sr4Ta2 octahedra, faces with four equivalent O(2)Sr4Ta2 octahedra, and faces with four equivalent O(1)Sr5Ta octahedra. The corner-sharing octahedral tilt angles range from 0-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(1) and one Ta(1) atom to form distorted OSr5Ta octahedra that share corners with five equivalent O(1)Sr5Ta octahedra, corners with six equivalent N(1)Sr4Ta2 octahedra, corners with six equivalent O(2)Sr4Ta2 octahedra, edges with eight equivalent O(1)Sr5Ta octahedra, faces with two equivalent N(1)Sr4Ta2 octahedra, and faces with two equivalent O(2)Sr4Ta2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Ta(1) atoms to form distorted OSr4Ta2 octahedra that share corners with two equivalent O(2)Sr4Ta2 octahedra, corners with twelve equivalent O(1)Sr5Ta octahedra, edges with two equivalent O(2)Sr4Ta2 octahedra, faces with four equivalent N(1)Sr4Ta2 octahedra, and faces with four equivalent O(1)Sr5Ta octahedra. The corner-sharing octahedral tilt angles range from 0-55°.
Sr2TaO3N is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Immm space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent N(1), two equivalent O(2), and five equivalent O(1) atoms. Both Sr(1)-N(1) bond lengths are 2.73 Å. Both Sr(1)-O(2) bond lengths are 2.75 Å. There is one shorter (2.48 Å) and four longer (2.88 Å) Sr(1)-O(1) bond lengths. Ta(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TaN2O4 octahedra. The corner-sharing octahedra are not tilted. Both Ta(1)-N(1) bond lengths are 2.04 Å. Both Ta(1)-O(1) bond lengths are 2.05 Å. Both Ta(1)-O(2) bond lengths are 2.02 Å. N(1) is bonded to four equivalent Sr(1) and two equivalent Ta(1) atoms to form distorted NSr4Ta2 octahedra that share corners with two equivalent N(1)Sr4Ta2 octahedra, corners with twelve equivalent O(1)Sr5Ta octahedra, edges with two equivalent N(1)Sr4Ta2 octahedra, faces with four equivalent O(2)Sr4Ta2 octahedra, and faces with four equivalent O(1)Sr5Ta octahedra. The corner-sharing octahedral tilt angles range from 0-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(1) and one Ta(1) atom to form distorted OSr5Ta octahedra that share corners with five equivalent O(1)Sr5Ta octahedra, corners with six equivalent N(1)Sr4Ta2 octahedra, corners with six equivalent O(2)Sr4Ta2 octahedra, edges with eight equivalent O(1)Sr5Ta octahedra, faces with two equivalent N(1)Sr4Ta2 octahedra, and faces with two equivalent O(2)Sr4Ta2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Ta(1) atoms to form distorted OSr4Ta2 octahedra that share corners with two equivalent O(2)Sr4Ta2 octahedra, corners with twelve equivalent O(1)Sr5Ta octahedra, edges with two equivalent O(2)Sr4Ta2 octahedra, faces with four equivalent N(1)Sr4Ta2 octahedra, and faces with four equivalent O(1)Sr5Ta octahedra. The corner-sharing octahedral tilt angles range from 0-55°.