NaSr2Ta3O9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. Na(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form NaO12 cuboctahedra that share corners with six equivalent Na(1)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ta(1)O6 octahedra, and faces with six equivalent Ta(2)O6 octahedra. Sr(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with three equivalent Na(1)O12 cuboctahedra, corners with nine equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Na(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Ta(1)O6 octahedra, and faces with five equivalent Ta(2)O6 octahedra. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to six equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent Ta(2)O6 octahedra, faces with two equivalent Na(1)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. In the second Ta site, Ta(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TaO6 octahedra that share corners with three equivalent Ta(1)O6 octahedra, corners with three equivalent Ta(2)O6 octahedra, faces with three equivalent Na(1)O12 cuboctahedra, and faces with five equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Na(1), three equivalent Sr(1), one Ta(1), and one Ta(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent Sr(1), and two equivalent Ta(2) atoms.
NaSr2Ta3O9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. Na(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form NaO12 cuboctahedra that share corners with six equivalent Na(1)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ta(1)O6 octahedra, and faces with six equivalent Ta(2)O6 octahedra. All Na(1)-O(1) bond lengths are 2.88 Å. All Na(1)-O(2) bond lengths are 2.86 Å. Sr(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with three equivalent Na(1)O12 cuboctahedra, corners with nine equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Na(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Ta(1)O6 octahedra, and faces with five equivalent Ta(2)O6 octahedra. All Sr(1)-O(2) bond lengths are 2.83 Å. There are three shorter (2.85 Å) and six longer (2.86 Å) Sr(1)-O(1) bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to six equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent Ta(2)O6 octahedra, faces with two equivalent Na(1)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. All Ta(1)-O(1) bond lengths are 2.02 Å. In the second Ta site, Ta(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TaO6 octahedra that share corners with three equivalent Ta(1)O6 octahedra, corners with three equivalent Ta(2)O6 octahedra, faces with three equivalent Na(1)O12 cuboctahedra, and faces with five equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. All Ta(2)-O(1) bond lengths are 2.03 Å. All Ta(2)-O(2) bond lengths are 2.01 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Na(1), three equivalent Sr(1), one Ta(1), and one Ta(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent Sr(1), and two equivalent Ta(2) atoms.