CaGaBBiO6BO crystallizes in the tetragonal P-42_1m space group. The structure consists of four boron oxide molecules inside a CaGaBBiO6 framework. In the CaGaBBiO6 framework, Ca(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms to form distorted CaO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra, and edges with two equivalent B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent O(2) atoms to form GaO4 tetrahedra that share corners with four equivalent Ca(1)O6 octahedra and corners with four equivalent B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. In the second Ga site, Ga(2) is bonded in a 4-coordinate geometry to four equivalent O(5) atoms. B(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form BO4 tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra, and edges with two equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. Bi(1) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(1), and two equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Ga(2), and one O(5) atom. In the second O site, O(6) is bonded in a water-like geometry to two equivalent Bi(1) atoms. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one B(1), and two equivalent Bi(1) atoms. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Ga(1), one B(1), and one Bi(1) atom. In the fifth O site, O(3) is bonded in a distorted tetrahedral geometry to two equivalent Ca(1) and two equivalent B(1) atoms.
CaGaBBiO6BO crystallizes in the tetragonal P-42_1m space group. The structure consists of four boron oxide molecules inside a CaGaBBiO6 framework. In the CaGaBBiO6 framework, Ca(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms to form distorted CaO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra, and edges with two equivalent B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. The Ca(1)-O(1) bond length is 2.24 Å. The Ca(1)-O(3) bond length is 2.38 Å. Both Ca(1)-O(2) bond lengths are 2.45 Å. Both Ca(1)-O(5) bond lengths are 2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent O(2) atoms to form GaO4 tetrahedra that share corners with four equivalent Ca(1)O6 octahedra and corners with four equivalent B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. All Ga(1)-O(2) bond lengths are 1.91 Å. In the second Ga site, Ga(2) is bonded in a 4-coordinate geometry to four equivalent O(5) atoms. All Ga(2)-O(5) bond lengths are 1.89 Å. B(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form BO4 tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra, and edges with two equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. The B(1)-O(1) bond length is 1.43 Å. The B(1)-O(3) bond length is 1.53 Å. Both B(1)-O(2) bond lengths are 1.55 Å. Bi(1) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(1), and two equivalent O(2) atoms. The Bi(1)-O(6) bond length is 2.13 Å. Both Bi(1)-O(1) bond lengths are 2.60 Å. Both Bi(1)-O(2) bond lengths are 2.57 Å. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Ga(2), and one O(5) atom. The O(5)-O(5) bond length is 1.59 Å. In the second O site, O(6) is bonded in a water-like geometry to two equivalent Bi(1) atoms. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one B(1), and two equivalent Bi(1) atoms. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Ga(1), one B(1), and one Bi(1) atom. In the fifth O site, O(3) is bonded in a distorted tetrahedral geometry to two equivalent Ca(1) and two equivalent B(1) atoms.