Sr2TaMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(2), one O(4), one O(6), three equivalent O(1), three equivalent O(3), and three equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mn(1)O6 octahedra, faces with three equivalent Mn(2)O6 octahedra, and faces with four equivalent Ta(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(1), one O(3), one O(5), three equivalent O(2), three equivalent O(4), and three equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with four equivalent Ta(1)O6 octahedra. Ta(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TaO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-8°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-8°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(2), three equivalent Sr(1), one Ta(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sr(1), three equivalent Sr(2), one Ta(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(2), three equivalent Sr(1), one Ta(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Sr(1), three equivalent Sr(2), one Ta(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Sr(2), three equivalent Sr(1), one Ta(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(2), one Ta(1), and one Mn(1) atom.
Sr2TaMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(2), one O(4), one O(6), three equivalent O(1), three equivalent O(3), and three equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mn(1)O6 octahedra, faces with three equivalent Mn(2)O6 octahedra, and faces with four equivalent Ta(1)O6 octahedra. The Sr(1)-O(2) bond length is 2.91 Å. The Sr(1)-O(4) bond length is 2.69 Å. The Sr(1)-O(6) bond length is 2.91 Å. There is one shorter (2.76 Å) and two longer (2.95 Å) Sr(1)-O(1) bond lengths. There is one shorter (2.67 Å) and two longer (2.84 Å) Sr(1)-O(3) bond lengths. There is one shorter (2.76 Å) and two longer (2.95 Å) Sr(1)-O(5) bond lengths. In the second Sr site, Sr(2) is bonded to one O(1), one O(3), one O(5), three equivalent O(2), three equivalent O(4), and three equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with four equivalent Ta(1)O6 octahedra. The Sr(2)-O(1) bond length is 2.76 Å. The Sr(2)-O(3) bond length is 3.00 Å. The Sr(2)-O(5) bond length is 2.76 Å. There are a spread of Sr(2)-O(2) bond distances ranging from 2.75-2.96 Å. There are a spread of Sr(2)-O(4) bond distances ranging from 2.83-3.02 Å. There are a spread of Sr(2)-O(6) bond distances ranging from 2.75-2.96 Å. Ta(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TaO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-8°. The Ta(1)-O(1) bond length is 2.03 Å. The Ta(1)-O(2) bond length is 1.96 Å. The Ta(1)-O(3) bond length is 1.93 Å. The Ta(1)-O(4) bond length is 2.07 Å. The Ta(1)-O(5) bond length is 2.03 Å. The Ta(1)-O(6) bond length is 1.96 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-8°. Both Mn(1)-O(2) bond lengths are 2.10 Å. Both Mn(1)-O(4) bond lengths are 1.92 Å. Both Mn(1)-O(6) bond lengths are 2.08 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-8°. Both Mn(2)-O(1) bond lengths are 1.96 Å. Both Mn(2)-O(3) bond lengths are 2.20 Å. Both Mn(2)-O(5) 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 one Sr(2), three equivalent Sr(1), one Ta(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sr(1), three equivalent Sr(2), one Ta(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(2), three equivalent Sr(1), one Ta(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Sr(1), three equivalent Sr(2), one Ta(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Sr(2), three equivalent Sr(1), one Ta(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(2), one Ta(1), and one Mn(1) atom.