Ca(BO3)2 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. B(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing BO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent B(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees 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) and one B(1) atom.
Ca(BO3)2 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Ca(1)-O(1) bond lengths are 2.48 Å. Both Ca(1)-O(2) bond lengths are 2.37 Å. Both Ca(1)-O(3) bond lengths are 2.38 Å. B(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing BO4 tetrahedra. The B(1)-O(2) bond length is 1.44 Å. The B(1)-O(3) bond length is 1.46 Å. Both B(1)-O(1) bond lengths are 1.47 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent B(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees 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) and one B(1) atom.