SrNb2O6 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 20-45°. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 20-43°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Nb(1) atoms. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Nb(1), and one Nb(2) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), one Nb(1), and one Nb(2) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Nb(2) atoms. In the fifth O site, O(4) is bonded to two equivalent Sr(1) and two equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing OSr2Nb2 tetrahedra. In the sixth O site, O(5) is bonded to two equivalent Sr(1) and two equivalent Nb(2) atoms to form a mixture of distorted corner and edge-sharing OSr2Nb2 tetrahedra.
SrNb2O6 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. The Sr(1)-O(1) bond length is 2.59 Å. The Sr(1)-O(2) bond length is 2.70 Å. The Sr(1)-O(3) bond length is 2.65 Å. The Sr(1)-O(6) bond length is 2.65 Å. There is one shorter (2.54 Å) and one longer (2.60 Å) Sr(1)-O(4) bond length. There is one shorter (2.54 Å) and one longer (2.60 Å) Sr(1)-O(5) bond length. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 20-45°. The Nb(1)-O(1) bond length is 2.11 Å. The Nb(1)-O(2) bond length is 1.90 Å. There is one shorter (1.94 Å) and one longer (2.20 Å) Nb(1)-O(4) bond length. There is one shorter (1.91 Å) and one longer (2.08 Å) Nb(1)-O(6) bond length. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 20-43°. The Nb(2)-O(1) bond length is 1.90 Å. The Nb(2)-O(2) bond length is 2.13 Å. There is one shorter (1.90 Å) and one longer (2.08 Å) Nb(2)-O(3) bond length. There is one shorter (1.94 Å) and one longer (2.21 Å) Nb(2)-O(5) bond length. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Nb(1) atoms. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Nb(1), and one Nb(2) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), one Nb(1), and one Nb(2) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Nb(2) atoms. In the fifth O site, O(4) is bonded to two equivalent Sr(1) and two equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing OSr2Nb2 tetrahedra. In the sixth O site, O(5) is bonded to two equivalent Sr(1) and two equivalent Nb(2) atoms to form a mixture of distorted corner and edge-sharing OSr2Nb2 tetrahedra.