Ba2Ca2W3Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(9) and four equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one O(4) and four equivalent O(2) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(10), two equivalent O(3), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(10), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent W sites. In the first W site, W(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted corner-sharing WO5 trigonal bipyramids. In the second W site, W(2) is bonded to one O(7), two equivalent O(6), and two equivalent O(8) atoms to form corner-sharing WO5 trigonal bipyramids. In the third W site, W(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(10) and two equivalent O(5) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted trigonal non-coplanar geometry to one O(4) and two equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a distorted trigonal non-coplanar geometry to one O(9) and two equivalent O(4) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to two equivalent Ca(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Ba(2) and one W(1) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to two equivalent Ca(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ba(2), one Tl(1), and two equivalent Tl(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent W(3) atoms to form a mixture of face, corner, and edge-sharing OCa4W2 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded in a see-saw-like geometry to two equivalent Ca(2) and two equivalent W(2) atoms. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one W(2) atom. In the eighth O site, O(8) is bonded in a see-saw-like geometry to two equivalent Ca(2) and two equivalent W(2) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Tl(2), and two equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent W(3) atoms to form a mixture of face, corner, and edge-sharing OCa4W2 octahedra. The corner-sharing octahedra are not tilted.
Ba2Ca2W3Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(9) and four equivalent O(7) atoms. The Ba(1)-O(9) bond length is 2.38 Å. There are a spread of Ba(1)-O(7) bond distances ranging from 2.96-3.10 Å. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one O(4) and four equivalent O(2) atoms. The Ba(2)-O(4) bond length is 2.39 Å. There are a spread of Ba(2)-O(2) bond distances ranging from 2.97-3.09 Å. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(10), two equivalent O(3), and two equivalent O(5) atoms. There is one shorter (2.40 Å) and one longer (2.41 Å) Ca(1)-O(1) bond length. Both Ca(1)-O(10) bond lengths are 2.81 Å. There is one shorter (2.39 Å) and one longer (2.40 Å) Ca(1)-O(3) bond length. There is one shorter (2.75 Å) and one longer (2.77 Å) Ca(1)-O(5) bond length. In the second Ca site, Ca(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(10), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There is one shorter (2.79 Å) and one longer (2.82 Å) Ca(2)-O(10) bond length. There is one shorter (2.75 Å) and one longer (2.76 Å) Ca(2)-O(5) bond length. There is one shorter (2.39 Å) and one longer (2.40 Å) Ca(2)-O(6) bond length. There is one shorter (2.40 Å) and one longer (2.41 Å) Ca(2)-O(8) bond length. There are three inequivalent W sites. In the first W site, W(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted corner-sharing WO5 trigonal bipyramids. The W(1)-O(2) bond length is 1.94 Å. Both W(1)-O(1) bond lengths are 2.07 Å. There is one shorter (2.11 Å) and one longer (2.12 Å) W(1)-O(3) bond length. In the second W site, W(2) is bonded to one O(7), two equivalent O(6), and two equivalent O(8) atoms to form corner-sharing WO5 trigonal bipyramids. The W(2)-O(7) bond length is 1.94 Å. There is one shorter (2.11 Å) and one longer (2.12 Å) W(2)-O(6) bond length. There is one shorter (2.06 Å) and one longer (2.07 Å) W(2)-O(8) bond length. In the third W site, W(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(10) and two equivalent O(5) atoms. Both W(3)-O(10) bond lengths are 2.02 Å. Both W(3)-O(5) bond lengths are 2.09 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted trigonal non-coplanar geometry to one O(4) and two equivalent O(9) atoms. The Tl(1)-O(4) bond length is 2.39 Å. There is one shorter (2.60 Å) and one longer (2.68 Å) Tl(1)-O(9) bond length. In the second Tl site, Tl(2) is bonded in a distorted trigonal non-coplanar geometry to one O(9) and two equivalent O(4) atoms. The Tl(2)-O(9) bond length is 2.37 Å. There is one shorter (2.59 Å) and one longer (2.64 Å) Tl(2)-O(4) bond length. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to two equivalent Ca(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Ba(2) and one W(1) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to two equivalent Ca(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ba(2), one Tl(1), and two equivalent Tl(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent W(3) atoms to form a mixture of face, corner, and edge-sharing OCa4W2 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded in a see-saw-like geometry to two equivalent Ca(2) and two equivalent W(2) atoms. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one W(2) atom. In the eighth O site, O(8) is bonded in a see-saw-like geometry to two equivalent Ca(2) and two equivalent W(2) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Tl(2), and two equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent W(3) atoms to form a mixture of face, corner, and edge-sharing OCa4W2 octahedra. The corner-sharing octahedra are not tilted.