CsBa2MgNb3O10 crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Ba(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(2), and four equivalent O(3) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent Ba(1) and four equivalent O(4) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1) and four equivalent O(2) atoms to form distorted corner-sharing NbO5 trigonal bipyramids. In the second Nb site, Nb(2) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra are not tilted. There are four 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(1) atom. In the second O site, O(2) is bonded to two equivalent Ba(1) and two equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing OBa2Nb2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one Nb(2) atom. In the fourth O site, O(4) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Nb(2) atoms.
CsBa2MgNb3O10 crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Cs(1)-O(1) bond lengths are 3.30 Å. Ba(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(2), and four equivalent O(3) atoms. The Ba(1)-Mg(1) bond length is 3.18 Å. All Ba(1)-O(2) bond lengths are 2.67 Å. All Ba(1)-O(3) bond lengths are 3.11 Å. Mg(1) is bonded in a square co-planar geometry to two equivalent Ba(1) and four equivalent O(4) atoms. All Mg(1)-O(4) bond lengths are 2.04 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1) and four equivalent O(2) atoms to form distorted corner-sharing NbO5 trigonal bipyramids. The Nb(1)-O(1) bond length is 1.78 Å. All Nb(1)-O(2) bond lengths are 2.11 Å. In the second Nb site, Nb(2) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra are not tilted. Both Nb(2)-O(3) bond lengths are 2.01 Å. All Nb(2)-O(4) bond lengths are 2.04 Å. There are four 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(1) atom. In the second O site, O(2) is bonded to two equivalent Ba(1) and two equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing OBa2Nb2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one Nb(2) atom. In the fourth O site, O(4) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Nb(2) atoms.