CaBSiO4(OH) crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(5) atom. H(1) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one Si(1), and one H(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Si(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one B(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one B(1) and one Si(1) atom. In the fifth O site, O(4) is bonded in a distorted water-like geometry to one Ca(1), one B(1), and one Si(1) atom.
CaBSiO4(OH) crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. The Ca(1)-O(4) bond length is 2.54 Å. The Ca(1)-O(5) bond length is 2.34 Å. There is one shorter (2.21 Å) and one longer (2.66 Å) Ca(1)-O(1) bond length. There is one shorter (2.36 Å) and one longer (2.44 Å) Ca(1)-O(2) bond length. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. The B(1)-O(2) bond length is 1.33 Å. The B(1)-O(3) bond length is 1.41 Å. The B(1)-O(4) bond length is 1.44 Å. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(5) atom. The Si(1)-O(1) bond length is 1.59 Å. The Si(1)-O(3) bond length is 1.65 Å. The Si(1)-O(4) bond length is 1.69 Å. The Si(1)-O(5) bond length is 1.67 Å. H(1) is bonded in a single-bond geometry to one O(5) atom. The H(1)-O(5) bond length is 0.98 Å. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one Si(1), and one H(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Si(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one B(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one B(1) and one Si(1) atom. In the fifth O site, O(4) is bonded in a distorted water-like geometry to one Ca(1), one B(1), and one Si(1) atom.