Ca4Al6WO16 crystallizes in the orthorhombic Fmm2 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. W(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms. In the second Al site, Al(2) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one W(1), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Al(1), and one Al(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one W(1), and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Al(2), and two equivalent Al(1) atoms. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ca(2), one W(1), and two equivalent Al(1) atoms.
Ca4Al6WO16 crystallizes in the orthorhombic Fmm2 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. The Ca(1)-O(3) bond length is 2.53 Å. Both Ca(1)-O(1) bond lengths are 2.33 Å. Both Ca(1)-O(2) bond lengths are 2.37 Å. Both Ca(1)-O(4) bond lengths are 2.55 Å. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. The Ca(2)-O(5) bond length is 2.41 Å. Both Ca(2)-O(1) bond lengths are 2.36 Å. Both Ca(2)-O(2) bond lengths are 2.35 Å. Both Ca(2)-O(4) bond lengths are 2.77 Å. W(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. Both W(1)-O(3) bond lengths are 1.99 Å. Both W(1)-O(5) bond lengths are 2.40 Å. All W(1)-O(1) bond lengths are 2.04 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms. The Al(1)-O(1) bond length is 2.50 Å. The Al(1)-O(2) bond length is 1.79 Å. The Al(1)-O(3) bond length is 1.90 Å. The Al(1)-O(5) bond length is 1.79 Å. There is one shorter (1.90 Å) and one longer (2.02 Å) Al(1)-O(4) bond length. In the second Al site, Al(2) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Both Al(2)-O(1) bond lengths are 2.13 Å. Both Al(2)-O(2) bond lengths are 1.80 Å. Both Al(2)-O(4) bond lengths are 2.02 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one W(1), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Al(1), and one Al(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one W(1), and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Al(2), and two equivalent Al(1) atoms. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ca(2), one W(1), and two equivalent Al(1) atoms.