Sr3LaNb3O12 crystallizes in the trigonal R3 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the third Sr site, Sr(3) is bonded in a 12-coordinate geometry to three equivalent O(2), three equivalent O(4), and six equivalent O(3) atoms. La(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 22°. In the second Nb site, Nb(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 20°. In the third Nb site, Nb(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 20-22°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one La(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and one Nb(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Sr(3), one La(1), one Nb(2), and one Nb(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(3), one La(1), one Nb(1), and one Nb(3) atom.
Sr3LaNb3O12 crystallizes in the trigonal R3 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. All Sr(1)-O(1) bond lengths are 2.57 Å. All Sr(1)-O(2) bond lengths are 2.60 Å. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. All Sr(2)-O(1) bond lengths are 2.63 Å. All Sr(2)-O(2) bond lengths are 2.54 Å. In the third Sr site, Sr(3) is bonded in a 12-coordinate geometry to three equivalent O(2), three equivalent O(4), and six equivalent O(3) atoms. All Sr(3)-O(2) bond lengths are 2.65 Å. All Sr(3)-O(4) bond lengths are 2.99 Å. There are three shorter (2.58 Å) and three longer (3.18 Å) Sr(3)-O(3) bond lengths. La(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. All La(1)-O(1) bond lengths are 2.58 Å. All La(1)-O(3) bond lengths are 2.91 Å. All La(1)-O(4) bond lengths are 2.48 Å. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Nb(1)-O(1) bond lengths are 1.90 Å. All Nb(1)-O(4) bond lengths are 2.18 Å. In the second Nb site, Nb(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Nb(2)-O(2) bond lengths are 1.89 Å. All Nb(2)-O(3) bond lengths are 2.22 Å. In the third Nb site, Nb(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 20-22°. All Nb(3)-O(3) bond lengths are 1.98 Å. All Nb(3)-O(4) bond lengths are 2.06 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one La(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), and one Nb(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Sr(3), one La(1), one Nb(2), and one Nb(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(3), one La(1), one Nb(1), and one Nb(3) atom.