The material structure described by 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. is represented by the CIF file [CIF]
data_CaGaBiB2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.721
_cell_length_b   7.721
_cell_length_c   10.849
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   646.805
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.675  0.175  0.789  1.0
  Ca  Ca1  1  0.325  0.825  0.789  1.0
  Ca  Ca2  1  0.175  0.325  0.211  1.0
  Ca  Ca3  1  0.825  0.675  0.211  1.0
  Ga  Ga4  1  0.500  0.500  0.000  1.0
  Ga  Ga5  1  0.000  0.000  0.000  1.0
  Ga  Ga6  1  0.500  0.500  0.500  1.0
  Ga  Ga7  1  0.000  0.000  0.500  1.0
  Bi  Bi8  1  0.648  0.148  0.207  1.0
  Bi  Bi9  1  0.352  0.852  0.207  1.0
  Bi  Bi10  1  0.148  0.352  0.793  1.0
  Bi  Bi11  1  0.852  0.648  0.793  1.0
  B  B12  1  0.632  0.868  0.968  1.0
  B  B13  1  0.368  0.132  0.968  1.0
  B  B14  1  0.132  0.632  0.032  1.0
  B  B15  1  0.868  0.368  0.032  1.0
  B  B16  1  0.291  0.209  0.624  1.0
  B  B17  1  0.709  0.791  0.624  1.0
  B  B18  1  0.791  0.291  0.376  1.0
  B  B19  1  0.209  0.709  0.376  1.0
  O  O20  1  0.153  0.653  0.902  1.0
  O  O21  1  0.847  0.347  0.902  1.0
  O  O22  1  0.801  0.934  0.907  1.0
  O  O23  1  0.199  0.066  0.907  1.0
  O  O24  1  0.434  0.301  0.907  1.0
  O  O25  1  0.566  0.699  0.907  1.0
  O  O26  1  0.500  0.000  0.921  1.0
  O  O27  1  0.000  0.500  0.079  1.0
  O  O28  1  0.934  0.199  0.093  1.0
  O  O29  1  0.699  0.434  0.093  1.0
  O  O30  1  0.301  0.566  0.093  1.0
  O  O31  1  0.066  0.801  0.093  1.0
  O  O32  1  0.653  0.847  0.098  1.0
  O  O33  1  0.347  0.153  0.098  1.0
  O  O34  1  0.878  0.378  0.447  1.0
  O  O35  1  0.122  0.622  0.447  1.0
  O  O36  1  0.908  0.954  0.342  1.0
  O  O37  1  0.092  0.046  0.342  1.0
  O  O38  1  0.454  0.408  0.342  1.0
  O  O39  1  0.546  0.592  0.342  1.0
  O  O40  1  0.500  0.000  0.336  1.0
  O  O41  1  0.000  0.500  0.664  1.0
  O  O42  1  0.954  0.092  0.658  1.0
  O  O43  1  0.592  0.454  0.658  1.0
  O  O44  1  0.408  0.546  0.658  1.0
  O  O45  1  0.046  0.908  0.658  1.0
  O  O46  1  0.378  0.122  0.553  1.0
  O  O47  1  0.622  0.878  0.553  1.0
[/CIF]
.
The material structure described by 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. is represented by the CIF file [CIF]
data_CaGaBiB2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.721
_cell_length_b   7.721
_cell_length_c   10.849
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   646.805
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.675  0.175  0.789  1.0
  Ca  Ca1  1  0.325  0.825  0.789  1.0
  Ca  Ca2  1  0.175  0.325  0.211  1.0
  Ca  Ca3  1  0.825  0.675  0.211  1.0
  Ga  Ga4  1  0.500  0.500  0.000  1.0
  Ga  Ga5  1  0.000  0.000  0.000  1.0
  Ga  Ga6  1  0.500  0.500  0.500  1.0
  Ga  Ga7  1  0.000  0.000  0.500  1.0
  Bi  Bi8  1  0.648  0.148  0.207  1.0
  Bi  Bi9  1  0.352  0.852  0.207  1.0
  Bi  Bi10  1  0.148  0.352  0.793  1.0
  Bi  Bi11  1  0.852  0.648  0.793  1.0
  B  B12  1  0.632  0.868  0.968  1.0
  B  B13  1  0.368  0.132  0.968  1.0
  B  B14  1  0.132  0.632  0.032  1.0
  B  B15  1  0.868  0.368  0.032  1.0
  B  B16  1  0.291  0.209  0.624  1.0
  B  B17  1  0.709  0.791  0.624  1.0
  B  B18  1  0.791  0.291  0.376  1.0
  B  B19  1  0.209  0.709  0.376  1.0
  O  O20  1  0.153  0.653  0.902  1.0
  O  O21  1  0.847  0.347  0.902  1.0
  O  O22  1  0.801  0.934  0.907  1.0
  O  O23  1  0.199  0.066  0.907  1.0
  O  O24  1  0.434  0.301  0.907  1.0
  O  O25  1  0.566  0.699  0.907  1.0
  O  O26  1  0.500  0.000  0.921  1.0
  O  O27  1  0.000  0.500  0.079  1.0
  O  O28  1  0.934  0.199  0.093  1.0
  O  O29  1  0.699  0.434  0.093  1.0
  O  O30  1  0.301  0.566  0.093  1.0
  O  O31  1  0.066  0.801  0.093  1.0
  O  O32  1  0.653  0.847  0.098  1.0
  O  O33  1  0.347  0.153  0.098  1.0
  O  O34  1  0.878  0.378  0.447  1.0
  O  O35  1  0.122  0.622  0.447  1.0
  O  O36  1  0.908  0.954  0.342  1.0
  O  O37  1  0.092  0.046  0.342  1.0
  O  O38  1  0.454  0.408  0.342  1.0
  O  O39  1  0.546  0.592  0.342  1.0
  O  O40  1  0.500  0.000  0.336  1.0
  O  O41  1  0.000  0.500  0.664  1.0
  O  O42  1  0.954  0.092  0.658  1.0
  O  O43  1  0.592  0.454  0.658  1.0
  O  O44  1  0.408  0.546  0.658  1.0
  O  O45  1  0.046  0.908  0.658  1.0
  O  O46  1  0.378  0.122  0.553  1.0
  O  O47  1  0.622  0.878  0.553  1.0
[/CIF]
.