CaGaBO4 crystallizes in the orthorhombic Ccc2 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), and three equivalent O(2) atoms. Ga(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form corner-sharing GaO4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ga(1), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Ca(1) and one B(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Ga(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ca(1), one Ga(1), and one B(1) atom.
CaGaBO4 crystallizes in the orthorhombic Ccc2 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), and three equivalent O(2) atoms. The Ca(1)-O(1) bond length is 2.40 Å. The Ca(1)-O(3) bond length is 2.34 Å. The Ca(1)-O(4) bond length is 2.44 Å. There are a spread of Ca(1)-O(2) bond distances ranging from 2.35-2.61 Å. Ga(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form corner-sharing GaO4 tetrahedra. The Ga(1)-O(1) bond length is 1.88 Å. The Ga(1)-O(4) bond length is 1.89 Å. Both Ga(1)-O(3) bond lengths are 1.83 Å. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. The B(1)-O(1) bond length is 1.39 Å. The B(1)-O(2) bond length is 1.37 Å. The B(1)-O(4) bond length is 1.40 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ga(1), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Ca(1) and one B(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Ga(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ca(1), one Ga(1), and one B(1) atom.