CaBHO3 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form distorted edge-sharing CaO6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. H(1) is bonded in a distorted linear geometry to one O(2) and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ca(1) and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one B(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Ca(1), one B(1), and one H(1) atom.
CaBHO3 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form distorted edge-sharing CaO6 octahedra. The Ca(1)-O(3) bond length is 2.42 Å. There is one shorter (2.33 Å) and one longer (2.39 Å) Ca(1)-O(2) bond length. There is one shorter (2.38 Å) and two longer (2.42 Å) Ca(1)-O(1) bond lengths. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The B(1)-O(1) bond length is 1.38 Å. The B(1)-O(2) bond length is 1.37 Å. The B(1)-O(3) bond length is 1.42 Å. H(1) is bonded in a distorted linear geometry to one O(2) and one O(3) atom. The H(1)-O(2) bond length is 1.61 Å. The H(1)-O(3) bond length is 1.02 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ca(1) and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one B(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Ca(1), one B(1), and one H(1) atom.