Ba5Sc6O14 crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one O(7), one O(8), two equivalent O(4), and two equivalent O(5) atoms. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form corner-sharing ScO4 tetrahedra. In the second Sc site, Sc(2) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form corner-sharing ScO4 tetrahedra. In the third Sc site, Sc(3) is bonded to one O(6), one O(8), and two equivalent O(5) atoms to form corner-sharing ScO4 tetrahedra. In the fourth Sc site, Sc(4) is bonded to one O(6), one O(9), and two equivalent O(1) atoms to form corner-sharing ScO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(8) is bonded to one Ba(3), two equivalent Ba(2), and one Sc(3) atom to form distorted OBa3Sc tetrahedra that share  a cornercorner with one O(6)Ba2Sc2 tetrahedra, corners with two equivalent O(1)Ba2Sc2 trigonal pyramids, corners with two equivalent O(3)Ba2Sc2 trigonal pyramids, and edges with two equivalent O(4)Ba3Sc tetrahedra. In the second O site, O(9) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Sc(4) atom. In the third O site, O(1) is bonded to one Ba(1), one Ba(2), one Sc(1), and one Sc(4) atom to form distorted OBa2Sc2 trigonal pyramids that share  a cornercorner with one O(8)Ba3Sc tetrahedra, corners with two equivalent O(4)Ba3Sc tetrahedra,  a cornercorner with one O(1)Ba2Sc2 trigonal pyramid, corners with three equivalent O(3)Ba2Sc2 trigonal pyramids, and  an edgeedge with one O(6)Ba2Sc2 tetrahedra. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Sc(1), and one Sc(2) atom. In the fifth O site, O(3) is bonded to one Ba(1), one Ba(2), one Sc(1), and one Sc(2) atom to form distorted OBa2Sc2 trigonal pyramids that share  a cornercorner with one O(6)Ba2Sc2 tetrahedra,  a cornercorner with one O(4)Ba3Sc tetrahedra,  a cornercorner with one O(8)Ba3Sc tetrahedra, corners with three equivalent O(1)Ba2Sc2 trigonal pyramids, and  an edgeedge with one O(4)Ba3Sc tetrahedra. In the sixth O site, O(4) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Sc(2) atom to form distorted OBa3Sc tetrahedra that share  a cornercorner with one O(6)Ba2Sc2 tetrahedra,  a cornercorner with one O(4)Ba3Sc tetrahedra,  a cornercorner with one O(3)Ba2Sc2 trigonal pyramid, corners with two equivalent O(1)Ba2Sc2 trigonal pyramids,  an edgeedge with one O(8)Ba3Sc tetrahedra, and  an edgeedge with one O(3)Ba2Sc2 trigonal pyramid. In the seventh O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(3), one Sc(1), and one Sc(3) atom. In the eighth O site, O(6) is bonded to two equivalent Ba(1), one Sc(3), and one Sc(4) atom to form distorted OBa2Sc2 tetrahedra that share  a cornercorner with one O(8)Ba3Sc tetrahedra, corners with two equivalent O(4)Ba3Sc tetrahedra, corners with two equivalent O(3)Ba2Sc2 trigonal pyramids, and edges with two equivalent O(1)Ba2Sc2 trigonal pyramids. In the ninth O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ba(3) and two equivalent Sc(2) atoms.
Ba5Sc6O14 crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(9) atom. The Ba(1)-O(1) bond length is 2.74 Å. The Ba(1)-O(2) bond length is 3.06 Å. The Ba(1)-O(3) bond length is 2.66 Å. The Ba(1)-O(4) bond length is 2.65 Å. The Ba(1)-O(6) bond length is 2.67 Å. The Ba(1)-O(9) bond length is 2.92 Å. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom. The Ba(2)-O(1) bond length is 2.70 Å. The Ba(2)-O(2) bond length is 2.95 Å. The Ba(2)-O(3) bond length is 2.66 Å. The Ba(2)-O(4) bond length is 2.76 Å. The Ba(2)-O(8) bond length is 2.63 Å. The Ba(2)-O(9) bond length is 2.90 Å. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one O(7), one O(8), two equivalent O(4), and two equivalent O(5) atoms. The Ba(3)-O(7) bond length is 2.78 Å. The Ba(3)-O(8) bond length is 2.70 Å. Both Ba(3)-O(4) bond lengths are 2.84 Å. Both Ba(3)-O(5) bond lengths are 2.98 Å. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form corner-sharing ScO4 tetrahedra. The Sc(1)-O(1) bond length is 2.00 Å. The Sc(1)-O(2) bond length is 2.00 Å. The Sc(1)-O(3) bond length is 2.01 Å. The Sc(1)-O(5) bond length is 2.00 Å. In the second Sc site, Sc(2) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form corner-sharing ScO4 tetrahedra. The Sc(2)-O(2) bond length is 2.04 Å. The Sc(2)-O(3) bond length is 2.03 Å. The Sc(2)-O(4) bond length is 1.97 Å. The Sc(2)-O(7) bond length is 1.98 Å. In the third Sc site, Sc(3) is bonded to one O(6), one O(8), and two equivalent O(5) atoms to form corner-sharing ScO4 tetrahedra. The Sc(3)-O(6) bond length is 2.02 Å. The Sc(3)-O(8) bond length is 1.95 Å. Both Sc(3)-O(5) bond lengths are 2.00 Å. In the fourth Sc site, Sc(4) is bonded to one O(6), one O(9), and two equivalent O(1) atoms to form corner-sharing ScO4 tetrahedra. The Sc(4)-O(6) bond length is 2.01 Å. The Sc(4)-O(9) bond length is 1.96 Å. Both Sc(4)-O(1) bond lengths are 2.03 Å. There are nine inequivalent O sites. In the first O site, O(8) is bonded to one Ba(3), two equivalent Ba(2), and one Sc(3) atom to form distorted OBa3Sc tetrahedra that share  a cornercorner with one O(6)Ba2Sc2 tetrahedra, corners with two equivalent O(1)Ba2Sc2 trigonal pyramids, corners with two equivalent O(3)Ba2Sc2 trigonal pyramids, and edges with two equivalent O(4)Ba3Sc tetrahedra. In the second O site, O(9) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Sc(4) atom. In the third O site, O(1) is bonded to one Ba(1), one Ba(2), one Sc(1), and one Sc(4) atom to form distorted OBa2Sc2 trigonal pyramids that share  a cornercorner with one O(8)Ba3Sc tetrahedra, corners with two equivalent O(4)Ba3Sc tetrahedra,  a cornercorner with one O(1)Ba2Sc2 trigonal pyramid, corners with three equivalent O(3)Ba2Sc2 trigonal pyramids, and  an edgeedge with one O(6)Ba2Sc2 tetrahedra. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Sc(1), and one Sc(2) atom. In the fifth O site, O(3) is bonded to one Ba(1), one Ba(2), one Sc(1), and one Sc(2) atom to form distorted OBa2Sc2 trigonal pyramids that share  a cornercorner with one O(6)Ba2Sc2 tetrahedra,  a cornercorner with one O(4)Ba3Sc tetrahedra,  a cornercorner with one O(8)Ba3Sc tetrahedra, corners with three equivalent O(1)Ba2Sc2 trigonal pyramids, and  an edgeedge with one O(4)Ba3Sc tetrahedra. In the sixth O site, O(4) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Sc(2) atom to form distorted OBa3Sc tetrahedra that share  a cornercorner with one O(6)Ba2Sc2 tetrahedra,  a cornercorner with one O(4)Ba3Sc tetrahedra,  a cornercorner with one O(3)Ba2Sc2 trigonal pyramid, corners with two equivalent O(1)Ba2Sc2 trigonal pyramids,  an edgeedge with one O(8)Ba3Sc tetrahedra, and  an edgeedge with one O(3)Ba2Sc2 trigonal pyramid. In the seventh O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(3), one Sc(1), and one Sc(3) atom. In the eighth O site, O(6) is bonded to two equivalent Ba(1), one Sc(3), and one Sc(4) atom to form distorted OBa2Sc2 tetrahedra that share  a cornercorner with one O(8)Ba3Sc tetrahedra, corners with two equivalent O(4)Ba3Sc tetrahedra, corners with two equivalent O(3)Ba2Sc2 trigonal pyramids, and edges with two equivalent O(1)Ba2Sc2 trigonal pyramids. In the ninth O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ba(3) and two equivalent Sc(2) atoms.