Sr3Nb2ZnO9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with six equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Zn(1)O6 octahedra, and faces with six equivalent Nb(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with nine equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Zn(1)O6 octahedra, and faces with five equivalent Nb(1)O6 octahedra. Nb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NbO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with five equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(2), one Nb(1), and one Zn(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Nb(1) atoms to form a mixture of distorted corner and face-sharing OSr4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Sr3Nb2ZnO9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with six equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Zn(1)O6 octahedra, and faces with six equivalent Nb(1)O6 octahedra. All Sr(1)-O(1) bond lengths are 2.87 Å. All Sr(1)-O(2) bond lengths are 2.88 Å. In the second Sr site, Sr(2) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with nine equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Zn(1)O6 octahedra, and faces with five equivalent Nb(1)O6 octahedra. All Sr(2)-O(2) bond lengths are 2.89 Å. All Sr(2)-O(1) bond lengths are 2.88 Å. Nb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NbO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with five equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. All Nb(1)-O(1) bond lengths are 1.94 Å. All Nb(1)-O(2) bond lengths are 2.09 Å. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. All Zn(1)-O(1) bond lengths are 2.08 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(2), one Nb(1), and one Zn(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Nb(1) atoms to form a mixture of distorted corner and face-sharing OSr4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.