SrTaO2N crystallizes in the monoclinic C2 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(1), two equivalent O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms to form distorted SrN2O10 cuboctahedra that share corners with four equivalent Sr(1)N2O10 cuboctahedra, corners with eight equivalent Sr(3)N6O6 cuboctahedra, faces with four equivalent Sr(2)N2O10 cuboctahedra, faces with four equivalent Ta(1)N2O4 octahedra, and faces with four equivalent Ta(2)N2O4 octahedra. In the second Sr site, Sr(2) is bonded to two equivalent N(1), two equivalent O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms to form distorted SrN2O10 cuboctahedra that share corners with four equivalent Sr(2)N2O10 cuboctahedra, faces with two equivalent Sr(3)N6O6 cuboctahedra, faces with four equivalent Sr(1)N2O10 cuboctahedra, faces with four equivalent Ta(1)N2O4 octahedra, and faces with four equivalent Ta(2)N2O4 octahedra. In the third Sr site, Sr(3) is bonded to two equivalent N(1), four equivalent N(2), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted SrN6O6 cuboctahedra that share corners with four equivalent Sr(3)N6O6 cuboctahedra, corners with eight equivalent Sr(1)N2O10 cuboctahedra, faces with two equivalent Sr(2)N2O10 cuboctahedra, faces with four equivalent Ta(1)N2O4 octahedra, and faces with four equivalent Ta(2)N2O4 octahedra. In the fourth Sr site, Sr(4) is bonded in a 10-coordinate geometry to two equivalent N(1), four equivalent N(2), two equivalent O(1), and two equivalent O(4) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(1), one N(2), one O(1), one O(2), one O(3), and one O(4) atom to form TaN2O4 octahedra that share corners with six equivalent Ta(2)N2O4 octahedra, faces with two equivalent Sr(1)N2O10 cuboctahedra, faces with two equivalent Sr(2)N2O10 cuboctahedra, and faces with two equivalent Sr(3)N6O6 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-21°. In the second Ta site, Ta(2) is bonded to one N(1), one N(2), one O(1), one O(2), one O(3), and one O(4) atom to form TaN2O4 octahedra that share corners with six equivalent Ta(1)N2O4 octahedra, faces with two equivalent Sr(1)N2O10 cuboctahedra, faces with two equivalent Sr(2)N2O10 cuboctahedra, and faces with two equivalent Sr(3)N6O6 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-21°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Ta(1), and one Ta(2) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to two equivalent Sr(3), two equivalent Sr(4), one Ta(1), and one Ta(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Ta(1), and one Ta(2) atom. 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 one Sr(1), one Sr(2), one Sr(3), one Ta(1), and one Ta(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Ta(1), and one Ta(2) atom.
SrTaO2N crystallizes in the monoclinic C2 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(1), two equivalent O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms to form distorted SrN2O10 cuboctahedra that share corners with four equivalent Sr(1)N2O10 cuboctahedra, corners with eight equivalent Sr(3)N6O6 cuboctahedra, faces with four equivalent Sr(2)N2O10 cuboctahedra, faces with four equivalent Ta(1)N2O4 octahedra, and faces with four equivalent Ta(2)N2O4 octahedra. Both Sr(1)-N(1) bond lengths are 2.72 Å. Both Sr(1)-O(1) bond lengths are 2.66 Å. Both Sr(1)-O(3) bond lengths are 2.85 Å. Both Sr(1)-O(4) bond lengths are 3.15 Å. There are two shorter (2.74 Å) and two longer (3.01 Å) Sr(1)-O(2) bond lengths. In the second Sr site, Sr(2) is bonded to two equivalent N(1), two equivalent O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms to form distorted SrN2O10 cuboctahedra that share corners with four equivalent Sr(2)N2O10 cuboctahedra, faces with two equivalent Sr(3)N6O6 cuboctahedra, faces with four equivalent Sr(1)N2O10 cuboctahedra, faces with four equivalent Ta(1)N2O4 octahedra, and faces with four equivalent Ta(2)N2O4 octahedra. Both Sr(2)-N(1) bond lengths are 2.96 Å. Both Sr(2)-O(1) bond lengths are 2.97 Å. Both Sr(2)-O(3) bond lengths are 2.62 Å. Both Sr(2)-O(4) bond lengths are 2.82 Å. There are two shorter (2.64 Å) and two longer (3.10 Å) Sr(2)-O(2) bond lengths. In the third Sr site, Sr(3) is bonded to two equivalent N(1), four equivalent N(2), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted SrN6O6 cuboctahedra that share corners with four equivalent Sr(3)N6O6 cuboctahedra, corners with eight equivalent Sr(1)N2O10 cuboctahedra, faces with two equivalent Sr(2)N2O10 cuboctahedra, faces with four equivalent Ta(1)N2O4 octahedra, and faces with four equivalent Ta(2)N2O4 octahedra. Both Sr(3)-N(1) bond lengths are 3.00 Å. There are two shorter (2.73 Å) and two longer (3.01 Å) Sr(3)-N(2) bond lengths. Both Sr(3)-O(1) bond lengths are 3.07 Å. Both Sr(3)-O(3) bond lengths are 2.96 Å. Both Sr(3)-O(4) bond lengths are 2.65 Å. In the fourth Sr site, Sr(4) is bonded in a 10-coordinate geometry to two equivalent N(1), four equivalent N(2), two equivalent O(1), and two equivalent O(4) atoms. Both Sr(4)-N(1) bond lengths are 2.78 Å. There are two shorter (2.78 Å) and two longer (2.97 Å) Sr(4)-N(2) bond lengths. Both Sr(4)-O(1) bond lengths are 2.77 Å. Both Sr(4)-O(4) bond lengths are 2.90 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(1), one N(2), one O(1), one O(2), one O(3), and one O(4) atom to form TaN2O4 octahedra that share corners with six equivalent Ta(2)N2O4 octahedra, faces with two equivalent Sr(1)N2O10 cuboctahedra, faces with two equivalent Sr(2)N2O10 cuboctahedra, and faces with two equivalent Sr(3)N6O6 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-21°. The Ta(1)-N(1) bond length is 1.99 Å. The Ta(1)-N(2) bond length is 2.00 Å. The Ta(1)-O(1) bond length is 2.13 Å. The Ta(1)-O(2) bond length is 2.12 Å. The Ta(1)-O(3) bond length is 2.02 Å. The Ta(1)-O(4) bond length is 2.04 Å. In the second Ta site, Ta(2) is bonded to one N(1), one N(2), one O(1), one O(2), one O(3), and one O(4) atom to form TaN2O4 octahedra that share corners with six equivalent Ta(1)N2O4 octahedra, faces with two equivalent Sr(1)N2O10 cuboctahedra, faces with two equivalent Sr(2)N2O10 cuboctahedra, and faces with two equivalent Sr(3)N6O6 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-21°. The Ta(2)-N(1) bond length is 1.98 Å. The Ta(2)-N(2) bond length is 2.01 Å. The Ta(2)-O(1) bond length is 2.13 Å. The Ta(2)-O(2) bond length is 2.10 Å. The Ta(2)-O(3) bond length is 2.04 Å. The Ta(2)-O(4) bond length is 2.03 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Ta(1), and one Ta(2) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to two equivalent Sr(3), two equivalent Sr(4), one Ta(1), and one Ta(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Ta(1), and one Ta(2) atom. 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 one Sr(1), one Sr(2), one Sr(3), one Ta(1), and one Ta(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Ta(1), and one Ta(2) atom.