The material described by BiAlGa2(BO3)4 is Calcite-derived structured and crystallizes in the monoclinic C2 space group. Ga(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form GaO6 octahedra that share corners with two equivalent Bi(1)O6 pentagonal pyramids,  an edgeedge with one Ga(1)O6 octahedra, and  an edgeedge with one Al(1)O6 octahedra. Al(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form AlO6 octahedra that share corners with two equivalent Bi(1)O6 pentagonal pyramids and edges with two equivalent Ga(1)O6 octahedra. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(6) atoms. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(3) atoms. Bi(1) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form distorted BiO6 pentagonal pyramids that share corners with two equivalent Al(1)O6 octahedra and corners with four equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ga(1), one Al(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ga(1) and one B(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ga(1), one Al(1), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ga(1) and one B(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Al(1), one B(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ga(1), one B(2), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ga(1), one B(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_AlGa2Bi(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.042
_cell_length_b   6.042
_cell_length_c   6.061
_cell_angle_alpha   76.063
_cell_angle_beta   76.063
_cell_angle_gamma   103.953
_symmetry_Int_Tables_number   1
_cell_volume   197.648
_cell_formula_units_Z   1
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
  Al  Al0  1  0.555  0.445  0.500  1.0
  Ga  Ga1  1  0.447  0.002  0.944  1.0
  Ga  Ga2  1  0.998  0.553  0.056  1.0
  Bi  Bi3  1  0.001  0.999  0.500  1.0
  B  B4  1  0.057  0.500  0.556  1.0
  B  B5  1  0.500  0.943  0.444  1.0
  B  B6  1  0.944  0.056  0.000  1.0
  B  B7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.903  0.495  0.417  1.0
  O  O9  1  0.505  0.097  0.583  1.0
  O  O10  1  0.090  0.910  0.000  1.0
  O  O11  1  0.639  0.495  0.154  1.0
  O  O12  1  0.505  0.361  0.846  1.0
  O  O13  1  0.354  0.646  0.000  1.0
  O  O14  1  0.620  0.776  0.471  1.0
  O  O15  1  0.786  0.032  0.872  1.0
  O  O16  1  0.032  0.628  0.715  1.0
  O  O17  1  0.224  0.380  0.529  1.0
  O  O18  1  0.968  0.214  0.128  1.0
  O  O19  1  0.372  0.968  0.285  1.0
[/CIF]
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The material described by BiAlGa2(BO3)4 is Calcite-derived structured and crystallizes in the monoclinic C2 space group. Ga(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form GaO6 octahedra that share corners with two equivalent Bi(1)O6 pentagonal pyramids,  an edgeedge with one Ga(1)O6 octahedra, and  an edgeedge with one Al(1)O6 octahedra. Al(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form AlO6 octahedra that share corners with two equivalent Bi(1)O6 pentagonal pyramids and edges with two equivalent Ga(1)O6 octahedra. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(6) atoms. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(3) atoms. Bi(1) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form distorted BiO6 pentagonal pyramids that share corners with two equivalent Al(1)O6 octahedra and corners with four equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ga(1), one Al(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ga(1) and one B(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ga(1), one Al(1), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ga(1) and one B(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Al(1), one B(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ga(1), one B(2), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ga(1), one B(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_AlGa2Bi(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.042
_cell_length_b   6.042
_cell_length_c   6.061
_cell_angle_alpha   76.063
_cell_angle_beta   76.063
_cell_angle_gamma   103.953
_symmetry_Int_Tables_number   1
_cell_volume   197.648
_cell_formula_units_Z   1
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
  Al  Al0  1  0.555  0.445  0.500  1.0
  Ga  Ga1  1  0.447  0.002  0.944  1.0
  Ga  Ga2  1  0.998  0.553  0.056  1.0
  Bi  Bi3  1  0.001  0.999  0.500  1.0
  B  B4  1  0.057  0.500  0.556  1.0
  B  B5  1  0.500  0.943  0.444  1.0
  B  B6  1  0.944  0.056  0.000  1.0
  B  B7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.903  0.495  0.417  1.0
  O  O9  1  0.505  0.097  0.583  1.0
  O  O10  1  0.090  0.910  0.000  1.0
  O  O11  1  0.639  0.495  0.154  1.0
  O  O12  1  0.505  0.361  0.846  1.0
  O  O13  1  0.354  0.646  0.000  1.0
  O  O14  1  0.620  0.776  0.471  1.0
  O  O15  1  0.786  0.032  0.872  1.0
  O  O16  1  0.032  0.628  0.715  1.0
  O  O17  1  0.224  0.380  0.529  1.0
  O  O18  1  0.968  0.214  0.128  1.0
  O  O19  1  0.372  0.968  0.285  1.0
[/CIF]
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