Ca(BO5)2 crystallizes in the monoclinic P2/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. B(1) is bonded in a distorted tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ca(1) and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ca(1) and one B(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ca(1), one B(1), and one O(5) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ca(1), one B(1), and one O(5) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one O(3) and one O(4) atom.
Ca(BO5)2 crystallizes in the monoclinic P2/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Ca(1)-O(1) bond lengths are 2.74 Å. Both Ca(1)-O(2) bond lengths are 2.33 Å. Both Ca(1)-O(3) bond lengths are 2.65 Å. Both Ca(1)-O(4) bond lengths are 2.86 Å. B(1) is bonded in a distorted tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. The B(1)-O(1) bond length is 1.47 Å. The B(1)-O(2) bond length is 1.46 Å. The B(1)-O(3) bond length is 1.43 Å. The B(1)-O(4) bond length is 1.45 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ca(1) and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ca(1) and one B(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ca(1), one B(1), and one O(5) atom. The O(3)-O(5) bond length is 1.48 Å. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ca(1), one B(1), and one O(5) atom. The O(4)-O(5) bond length is 1.44 Å. In the fifth O site, O(5) is bonded in a water-like geometry to one O(3) and one O(4) atom.