SrLaTa2(NO)3 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one N(2), one N(3), one N(5), two equivalent N(1), one O(1), one O(4), one O(5), and one O(6) atom. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to one N(2), one N(5), two equivalent N(4), two equivalent N(6), one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one N(1), one N(3), one N(5), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one N(2), one N(4), one N(5), two equivalent N(6), one O(1), one O(2), one O(3), and one O(6) atom. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(1), one N(2), one N(6), one O(2), one O(4), and one O(6) atom to form corner-sharing TaN3O3 octahedra. The corner-sharing octahedral tilt angles range from 13-28°. In the second Ta site, Ta(2) is bonded to one N(1), one N(5), one N(6), one O(1), one O(3), and one O(5) atom to form corner-sharing TaN3O3 octahedra. The corner-sharing octahedral tilt angles range from 9-26°. In the third Ta site, Ta(3) is bonded to one N(3), one N(4), one N(5), one O(1), one O(3), and one O(5) atom to form corner-sharing TaN3O3 octahedra. The corner-sharing octahedral tilt angles range from 9-26°. In the fourth Ta site, Ta(4) is bonded to one N(2), one N(3), one N(4), one O(2), one O(4), and one O(6) atom to form corner-sharing TaN3O3 octahedra. The corner-sharing octahedral tilt angles range from 13-28°. There are six inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1), one La(1), one Ta(1), and one Ta(2) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one La(2), one Ta(1), and one Ta(4) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Sr(1), one La(1), one Ta(3), and one Ta(4) atom. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one La(2), one Ta(3), and one Ta(4) atom. In the fifth N site, N(5) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one La(1), one La(2), one Ta(2), and one Ta(3) atom. In the sixth N site, N(6) is bonded in a 6-coordinate geometry to two equivalent Sr(2), two equivalent La(2), one Ta(1), and one Ta(2) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one La(2), one Ta(2), and one Ta(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(2), one La(1), one La(2), one Ta(1), and one Ta(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(2), one La(1), one La(2), one Ta(2), and one Ta(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one La(1), one Ta(1), and one Ta(4) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one La(1), one Ta(2), and one Ta(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one La(1), one La(2), one Ta(1), and one Ta(4) atom.
SrLaTa2(NO)3 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one N(2), one N(3), one N(5), two equivalent N(1), one O(1), one O(4), one O(5), and one O(6) atom. The Sr(1)-N(2) bond length is 2.79 Å. The Sr(1)-N(3) bond length is 2.64 Å. The Sr(1)-N(5) bond length is 2.73 Å. There is one shorter (2.84 Å) and one longer (2.96 Å) Sr(1)-N(1) bond length. The Sr(1)-O(1) bond length is 2.89 Å. The Sr(1)-O(4) bond length is 2.77 Å. The Sr(1)-O(5) bond length is 2.86 Å. The Sr(1)-O(6) bond length is 2.58 Å. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to one N(2), one N(5), two equivalent N(4), two equivalent N(6), one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Sr(2)-N(2) bond length is 2.91 Å. The Sr(2)-N(5) bond length is 3.08 Å. There is one shorter (2.73 Å) and one longer (3.08 Å) Sr(2)-N(4) bond length. There is one shorter (2.64 Å) and one longer (3.09 Å) Sr(2)-N(6) bond length. The Sr(2)-O(1) bond length is 2.81 Å. The Sr(2)-O(2) bond length is 2.63 Å. The Sr(2)-O(3) bond length is 2.54 Å. The Sr(2)-O(4) bond length is 3.05 Å. The Sr(2)-O(5) bond length is 2.88 Å. The Sr(2)-O(6) bond length is 3.30 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one N(1), one N(3), one N(5), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The La(1)-N(1) bond length is 2.44 Å. The La(1)-N(3) bond length is 2.56 Å. The La(1)-N(5) bond length is 2.86 Å. The La(1)-O(2) bond length is 2.80 Å. The La(1)-O(3) bond length is 3.00 Å. The La(1)-O(4) bond length is 2.53 Å. The La(1)-O(5) bond length is 2.65 Å. The La(1)-O(6) bond length is 2.73 Å. In the second La site, La(2) is bonded in a 9-coordinate geometry to one N(2), one N(4), one N(5), two equivalent N(6), one O(1), one O(2), one O(3), and one O(6) atom. The La(2)-N(2) bond length is 2.70 Å. The La(2)-N(4) bond length is 2.44 Å. The La(2)-N(5) bond length is 2.78 Å. There is one shorter (2.79 Å) and one longer (2.96 Å) La(2)-N(6) bond length. The La(2)-O(1) bond length is 2.50 Å. The La(2)-O(2) bond length is 2.89 Å. The La(2)-O(3) bond length is 2.76 Å. The La(2)-O(6) bond length is 2.88 Å. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(1), one N(2), one N(6), one O(2), one O(4), and one O(6) atom to form corner-sharing TaN3O3 octahedra. The corner-sharing octahedral tilt angles range from 13-28°. The Ta(1)-N(1) bond length is 2.24 Å. The Ta(1)-N(2) bond length is 2.02 Å. The Ta(1)-N(6) bond length is 1.94 Å. The Ta(1)-O(2) bond length is 2.06 Å. The Ta(1)-O(4) bond length is 2.03 Å. The Ta(1)-O(6) bond length is 2.12 Å. In the second Ta site, Ta(2) is bonded to one N(1), one N(5), one N(6), one O(1), one O(3), and one O(5) atom to form corner-sharing TaN3O3 octahedra. The corner-sharing octahedral tilt angles range from 9-26°. The Ta(2)-N(1) bond length is 1.96 Å. The Ta(2)-N(5) bond length is 1.98 Å. The Ta(2)-N(6) bond length is 2.21 Å. The Ta(2)-O(1) bond length is 2.18 Å. The Ta(2)-O(3) bond length is 2.04 Å. The Ta(2)-O(5) bond length is 2.05 Å. In the third Ta site, Ta(3) is bonded to one N(3), one N(4), one N(5), one O(1), one O(3), and one O(5) atom to form corner-sharing TaN3O3 octahedra. The corner-sharing octahedral tilt angles range from 9-26°. The Ta(3)-N(3) bond length is 1.96 Å. The Ta(3)-N(4) bond length is 2.22 Å. The Ta(3)-N(5) bond length is 2.01 Å. The Ta(3)-O(1) bond length is 2.13 Å. The Ta(3)-O(3) bond length is 2.06 Å. The Ta(3)-O(5) bond length is 2.04 Å. In the fourth Ta site, Ta(4) is bonded to one N(2), one N(3), one N(4), one O(2), one O(4), and one O(6) atom to form corner-sharing TaN3O3 octahedra. The corner-sharing octahedral tilt angles range from 13-28°. The Ta(4)-N(2) bond length is 1.96 Å. The Ta(4)-N(3) bond length is 2.20 Å. The Ta(4)-N(4) bond length is 1.99 Å. The Ta(4)-O(2) bond length is 2.03 Å. The Ta(4)-O(4) bond length is 2.07 Å. The Ta(4)-O(6) bond length is 2.18 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1), one La(1), one Ta(1), and one Ta(2) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one La(2), one Ta(1), and one Ta(4) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Sr(1), one La(1), one Ta(3), and one Ta(4) atom. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one La(2), one Ta(3), and one Ta(4) atom. In the fifth N site, N(5) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one La(1), one La(2), one Ta(2), and one Ta(3) atom. In the sixth N site, N(6) is bonded in a 6-coordinate geometry to two equivalent Sr(2), two equivalent La(2), one Ta(1), and one Ta(2) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one La(2), one Ta(2), and one Ta(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(2), one La(1), one La(2), one Ta(1), and one Ta(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(2), one La(1), one La(2), one Ta(2), and one Ta(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one La(1), one Ta(1), and one Ta(4) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one La(1), one Ta(2), and one Ta(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one La(1), one La(2), one Ta(1), and one Ta(4) atom.