Sr3LaTaAl3O12 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent Ta(1)O6 octahedra, faces with two equivalent Al(1)O6 octahedra, faces with two equivalent Al(2)O6 octahedra, and faces with two equivalent Al(3)O6 octahedra. In the second Sr site, Sr(2) is bonded to two equivalent O(5), two equivalent O(6), four equivalent O(3), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ta(1)O6 octahedra, faces with two equivalent Al(1)O6 octahedra, faces with two equivalent Al(2)O6 octahedra, and faces with two equivalent Al(3)O6 octahedra. La(1) is bonded to two equivalent O(5), two equivalent O(6), four equivalent O(1), and four equivalent O(2) atoms to form LaO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ta(1)O6 octahedra, faces with two equivalent Al(1)O6 octahedra, faces with two equivalent Al(2)O6 octahedra, and faces with two equivalent Al(3)O6 octahedra. Ta(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form TaO6 octahedra that share corners with two equivalent Al(2)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-4°. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form AlO6 octahedra that share corners with two equivalent Al(3)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the second Al site, Al(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form AlO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent Al(3)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third Al site, Al(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form AlO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with four equivalent Al(2)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-5°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent La(1), one Ta(1), and one Al(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent La(1), one Al(2), and one Al(3) atom to form distorted OSr2La2Al2 octahedra that share corners with two equivalent O(4)Sr4Al2 octahedra, edges with two equivalent O(2)Sr2La2Al2 octahedra, faces with two equivalent O(2)Sr2La2Al2 octahedra, and faces with two equivalent O(4)Sr4Al2 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Al(1) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Al(2), and one Al(3) atom to form distorted OSr4Al2 octahedra that share corners with two equivalent O(2)Sr2La2Al2 octahedra, edges with two equivalent O(4)Sr4Al2 octahedra, faces with two equivalent O(2)Sr2La2Al2 octahedra, and faces with two equivalent O(4)Sr4Al2 octahedra. The corner-sharing octahedral tilt angles are 3°. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(1), one La(1), one Ta(1), and one Al(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(1), one La(1), one Al(1), and one Al(3) atom.
Sr3LaTaAl3O12 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent Ta(1)O6 octahedra, faces with two equivalent Al(1)O6 octahedra, faces with two equivalent Al(2)O6 octahedra, and faces with two equivalent Al(3)O6 octahedra. Both Sr(1)-O(1) bond lengths are 2.84 Å. Both Sr(1)-O(2) bond lengths are 2.73 Å. Both Sr(1)-O(3) bond lengths are 2.81 Å. Both Sr(1)-O(4) bond lengths are 2.68 Å. Both Sr(1)-O(5) bond lengths are 2.73 Å. Both Sr(1)-O(6) bond lengths are 2.75 Å. In the second Sr site, Sr(2) is bonded to two equivalent O(5), two equivalent O(6), four equivalent O(3), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ta(1)O6 octahedra, faces with two equivalent Al(1)O6 octahedra, faces with two equivalent Al(2)O6 octahedra, and faces with two equivalent Al(3)O6 octahedra. Both Sr(2)-O(5) bond lengths are 2.79 Å. Both Sr(2)-O(6) bond lengths are 2.79 Å. All Sr(2)-O(3) bond lengths are 2.82 Å. All Sr(2)-O(4) bond lengths are 2.69 Å. La(1) is bonded to two equivalent O(5), two equivalent O(6), four equivalent O(1), and four equivalent O(2) atoms to form LaO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ta(1)O6 octahedra, faces with two equivalent Al(1)O6 octahedra, faces with two equivalent Al(2)O6 octahedra, and faces with two equivalent Al(3)O6 octahedra. Both La(1)-O(5) bond lengths are 2.71 Å. Both La(1)-O(6) bond lengths are 2.68 Å. All La(1)-O(1) bond lengths are 2.80 Å. All La(1)-O(2) bond lengths are 2.63 Å. Ta(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form TaO6 octahedra that share corners with two equivalent Al(2)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-4°. Both Ta(1)-O(1) bond lengths are 1.99 Å. Both Ta(1)-O(3) bond lengths are 1.96 Å. Both Ta(1)-O(5) bond lengths are 1.99 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form AlO6 octahedra that share corners with two equivalent Al(3)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-4°. Both Al(1)-O(1) bond lengths are 1.90 Å. Both Al(1)-O(3) bond lengths are 1.90 Å. Both Al(1)-O(6) bond lengths are 1.95 Å. In the second Al site, Al(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form AlO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent Al(3)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-5°. Both Al(2)-O(2) bond lengths are 1.95 Å. Both Al(2)-O(4) bond lengths are 1.91 Å. Both Al(2)-O(5) bond lengths are 1.91 Å. In the third Al site, Al(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form AlO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with four equivalent Al(2)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-5°. Both Al(3)-O(2) bond lengths are 1.97 Å. Both Al(3)-O(4) bond lengths are 1.92 Å. Both Al(3)-O(6) bond lengths are 1.95 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent La(1), one Ta(1), and one Al(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent La(1), one Al(2), and one Al(3) atom to form distorted OSr2La2Al2 octahedra that share corners with two equivalent O(4)Sr4Al2 octahedra, edges with two equivalent O(2)Sr2La2Al2 octahedra, faces with two equivalent O(2)Sr2La2Al2 octahedra, and faces with two equivalent O(4)Sr4Al2 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Al(1) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Al(2), and one Al(3) atom to form distorted OSr4Al2 octahedra that share corners with two equivalent O(2)Sr2La2Al2 octahedra, edges with two equivalent O(4)Sr4Al2 octahedra, faces with two equivalent O(2)Sr2La2Al2 octahedra, and faces with two equivalent O(4)Sr4Al2 octahedra. The corner-sharing octahedral tilt angles are 3°. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(1), one La(1), one Ta(1), and one Al(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(1), one La(1), one Al(1), and one Al(3) atom.