CsMgLaNb2O7 crystallizes in the orthorhombic Pmm2 space group. Cs(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(6) atoms. Mg(1) is bonded in a square co-planar geometry to one O(2), one O(4), and two equivalent O(7) atoms. La(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(5) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one O(6), one O(7), two equivalent O(2), and two equivalent O(3) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(1), one O(7), two equivalent O(4), and two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one Nb(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing OLa2Nb2 tetrahedra. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Nb(2) atoms. In the fifth O site, O(5) is bonded to two equivalent La(1) and two equivalent Nb(2) atoms to form a mixture of distorted corner and edge-sharing OLa2Nb2 tetrahedra. In the sixth O site, O(6) is bonded in a single-bond geometry to four equivalent Cs(1) and one Nb(1) atom. In the seventh O site, O(7) is bonded in a square co-planar geometry to two equivalent Mg(1), one Nb(1), and one Nb(2) atom.
CsMgLaNb2O7 crystallizes in the orthorhombic Pmm2 space group. Cs(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(6) atoms. All Cs(1)-O(1) bond lengths are 3.57 Å. All Cs(1)-O(6) bond lengths are 3.57 Å. Mg(1) is bonded in a square co-planar geometry to one O(2), one O(4), and two equivalent O(7) atoms. The Mg(1)-O(2) bond length is 1.90 Å. The Mg(1)-O(4) bond length is 1.90 Å. Both Mg(1)-O(7) bond lengths are 1.97 Å. La(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(5) atoms. Both La(1)-O(3) bond lengths are 2.50 Å. Both La(1)-O(5) bond lengths are 2.49 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one O(6), one O(7), two equivalent O(2), and two equivalent O(3) atoms. The Nb(1)-O(6) bond length is 1.78 Å. The Nb(1)-O(7) bond length is 2.30 Å. Both Nb(1)-O(2) bond lengths are 2.01 Å. Both Nb(1)-O(3) bond lengths are 2.67 Å. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(1), one O(7), two equivalent O(4), and two equivalent O(5) atoms. The Nb(2)-O(1) bond length is 1.78 Å. The Nb(2)-O(7) bond length is 2.30 Å. Both Nb(2)-O(4) bond lengths are 2.01 Å. Both Nb(2)-O(5) bond lengths are 2.66 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one Nb(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing OLa2Nb2 tetrahedra. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Nb(2) atoms. In the fifth O site, O(5) is bonded to two equivalent La(1) and two equivalent Nb(2) atoms to form a mixture of distorted corner and edge-sharing OLa2Nb2 tetrahedra. In the sixth O site, O(6) is bonded in a single-bond geometry to four equivalent Cs(1) and one Nb(1) atom. In the seventh O site, O(7) is bonded in a square co-planar geometry to two equivalent Mg(1), one Nb(1), and one Nb(2) atom.