SrTaO2N crystallizes in the monoclinic C2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one N(1), one N(3), two equivalent N(2), one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded to one N(1), one N(3), two equivalent N(2), one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted SrN4O8 cuboctahedra that share corners with four equivalent Sr(2)N4O8 cuboctahedra, faces with two equivalent Sr(2)N4O8 cuboctahedra, faces with four equivalent Ta(1)N2O4 octahedra, and faces with four equivalent Ta(2)N2O4 octahedra. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(2), one N(3), one O(1), one O(2), and two equivalent O(4) atoms to form TaN2O4 octahedra that share corners with two equivalent Ta(2)N2O4 octahedra, corners with four equivalent Ta(1)N2O4 octahedra, and faces with four equivalent Sr(2)N4O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-16°. In the second Ta site, Ta(2) is bonded to one N(1), one N(2), one O(2), one O(5), and two equivalent O(3) atoms to form TaN2O4 octahedra that share corners with two equivalent Ta(1)N2O4 octahedra, corners with four equivalent Ta(2)N2O4 octahedra, and faces with four equivalent Sr(2)N4O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-16°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(2) atoms. In the second N site, N(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Ta(2) atom. In the third N site, N(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Ta(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(2) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(2) atoms.
SrTaO2N crystallizes in the monoclinic C2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one N(1), one N(3), two equivalent N(2), one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. The Sr(1)-N(1) bond length is 2.75 Å. The Sr(1)-N(3) bond length is 2.74 Å. There is one shorter (2.78 Å) and one longer (2.96 Å) Sr(1)-N(2) bond length. The Sr(1)-O(1) bond length is 2.73 Å. The Sr(1)-O(5) bond length is 2.72 Å. There is one shorter (2.77 Å) and one longer (2.98 Å) Sr(1)-O(2) bond length. There is one shorter (2.88 Å) and one longer (3.22 Å) Sr(1)-O(3) bond length. There is one shorter (2.89 Å) and one longer (3.20 Å) Sr(1)-O(4) bond length. In the second Sr site, Sr(2) is bonded to one N(1), one N(3), two equivalent N(2), one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted SrN4O8 cuboctahedra that share corners with four equivalent Sr(2)N4O8 cuboctahedra, faces with two equivalent Sr(2)N4O8 cuboctahedra, faces with four equivalent Ta(1)N2O4 octahedra, and faces with four equivalent Ta(2)N2O4 octahedra. The Sr(2)-N(1) bond length is 2.98 Å. The Sr(2)-N(3) bond length is 3.01 Å. There is one shorter (2.72 Å) and one longer (3.02 Å) Sr(2)-N(2) bond length. The Sr(2)-O(1) bond length is 3.00 Å. The Sr(2)-O(5) bond length is 3.04 Å. There is one shorter (2.66 Å) and one longer (3.08 Å) Sr(2)-O(2) bond length. There is one shorter (2.65 Å) and one longer (2.87 Å) Sr(2)-O(3) bond length. There is one shorter (2.64 Å) and one longer (2.88 Å) Sr(2)-O(4) bond length. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(2), one N(3), one O(1), one O(2), and two equivalent O(4) atoms to form TaN2O4 octahedra that share corners with two equivalent Ta(2)N2O4 octahedra, corners with four equivalent Ta(1)N2O4 octahedra, and faces with four equivalent Sr(2)N4O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-16°. The Ta(1)-N(2) bond length is 1.99 Å. The Ta(1)-N(3) bond length is 1.98 Å. The Ta(1)-O(1) bond length is 2.13 Å. The Ta(1)-O(2) bond length is 2.12 Å. Both Ta(1)-O(4) bond lengths are 2.03 Å. In the second Ta site, Ta(2) is bonded to one N(1), one N(2), one O(2), one O(5), and two equivalent O(3) atoms to form TaN2O4 octahedra that share corners with two equivalent Ta(1)N2O4 octahedra, corners with four equivalent Ta(2)N2O4 octahedra, and faces with four equivalent Sr(2)N4O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-16°. The Ta(2)-N(1) bond length is 1.99 Å. The Ta(2)-N(2) bond length is 1.98 Å. The Ta(2)-O(2) bond length is 2.14 Å. The Ta(2)-O(5) bond length is 2.13 Å. There is one shorter (2.02 Å) and one longer (2.05 Å) Ta(2)-O(3) bond length. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(2) atoms. In the second N site, N(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Ta(2) atom. In the third N site, N(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Ta(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(2) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(2) atoms.