The crystal structure described by CaBi2O4 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(10) and three equivalent O(1) atoms to form CaO4 tetrahedra that share corners with three equivalent Ca(3)O6 octahedra, corners with three equivalent Bi(4)O6 octahedra, and corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. In the second Ca site, Ca(2) is bonded to one O(2) and three equivalent O(4) atoms to form CaO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra, corners with three equivalent Bi(3)O6 octahedra, and corners with six equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. In the third Ca site, Ca(3) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form CaO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Bi(6)O4 tetrahedra, edges with three equivalent Bi(1)O6 octahedra, and edges with three equivalent Bi(4)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(6) and three equivalent O(8) atoms to form CaO4 tetrahedra that share corners with three equivalent Bi(2)O6 octahedra, corners with three equivalent Bi(5)O6 octahedra, and corners with six equivalent Bi(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. In the fifth Ca site, Ca(5) is bonded to one O(9) and three equivalent O(3) atoms to form CaO4 tetrahedra that share corners with three equivalent Bi(2)O6 octahedra, corners with three equivalent Bi(3)O6 octahedra, and corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the sixth Ca site, Ca(6) is bonded to one O(12) and three equivalent O(7) atoms to form CaO4 tetrahedra that share corners with three equivalent Bi(4)O6 octahedra, corners with three equivalent Bi(5)O6 octahedra, and corners with six equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form BiO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Bi(6)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Ca(5)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra, and edges with four equivalent Bi(1)O6 octahedra. In the second Bi site, Bi(2) is bonded to one O(6), one O(9), two equivalent O(4), and two equivalent O(7) atoms to form BiO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  a cornercorner with one Ca(5)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Ca(6)O4 tetrahedra,  an edgeedge with one Bi(3)O6 octahedra,  an edgeedge with one Bi(5)O6 octahedra, and edges with four equivalent Bi(2)O6 octahedra. In the third Bi site, Bi(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form BiO6 octahedra that share corners with three equivalent Ca(2)O4 tetrahedra, corners with three equivalent Ca(5)O4 tetrahedra, edges with three equivalent Bi(1)O6 octahedra, and edges with three equivalent Bi(2)O6 octahedra. In the fourth Bi site, Bi(4) is bonded to one O(10), one O(12), two equivalent O(11), and two equivalent O(8) atoms to form BiO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(6)O4 tetrahedra, corners with two equivalent Ca(4)O4 tetrahedra, corners with two equivalent Bi(6)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Bi(5)O6 octahedra, and edges with four equivalent Bi(4)O6 octahedra. In the fifth Bi site, Bi(5) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form BiO6 octahedra that share corners with three equivalent Ca(4)O4 tetrahedra, corners with three equivalent Ca(6)O4 tetrahedra, edges with three equivalent Bi(2)O6 octahedra, and edges with three equivalent Bi(4)O6 octahedra. In the sixth Bi site, Bi(6) is bonded to one O(5) and three equivalent O(11) atoms to form BiO4 tetrahedra that share corners with three equivalent Ca(3)O6 octahedra, corners with three equivalent Bi(1)O6 octahedra, and corners with six equivalent Bi(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(3), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OCa2Bi2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2) and three equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ca(5), one Bi(3), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Bi(3), and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Bi(6) and three equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ca(4) and three equivalent Bi(2) atoms. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Bi(5), and two equivalent Bi(2) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Bi(5), and two equivalent Bi(4) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal pyramidal geometry to one Ca(5) and three equivalent Bi(2) atoms. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1) and three equivalent Bi(4) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Ca(3), one Bi(6), and two equivalent Bi(4) atoms. In the twelfth O site, O(12) is bonded in a distorted trigonal pyramidal geometry to one Ca(6) and three equivalent Bi(4) atoms. is represented by the CIF card [CIF]
data_Ca(BiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.070
_cell_length_b   7.070
_cell_length_c   17.310
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   749.307
_cell_formula_units_Z   6
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  0.667  0.333  0.956  1.0
  Ca  Ca1  1  0.333  0.667  0.625  1.0
  Ca  Ca2  1  0.333  0.667  0.998  1.0
  Ca  Ca3  1  0.000  0.000  0.292  1.0
  Ca  Ca4  1  0.667  0.333  0.709  1.0
  Ca  Ca5  1  0.333  0.667  0.376  1.0
  Bi  Bi6  1  0.170  0.830  0.836  1.0
  Bi  Bi7  1  0.170  0.339  0.836  1.0
  Bi  Bi8  1  0.834  0.166  0.502  1.0
  Bi  Bi9  1  0.661  0.830  0.836  1.0
  Bi  Bi10  1  0.000  0.000  0.671  1.0
  Bi  Bi11  1  0.834  0.668  0.502  1.0
  Bi  Bi12  1  0.500  0.500  0.167  1.0
  Bi  Bi13  1  0.332  0.166  0.502  1.0
  Bi  Bi14  1  0.999  0.500  0.167  1.0
  Bi  Bi15  1  0.667  0.333  0.336  1.0
  Bi  Bi16  1  0.500  0.001  0.167  1.0
  Bi  Bi17  1  0.000  0.000  0.045  1.0
  O  O18  1  0.487  0.974  0.912  1.0
  O  O19  1  0.333  0.667  0.761  1.0
  O  O20  1  0.026  0.513  0.912  1.0
  O  O21  1  0.487  0.513  0.912  1.0
  O  O22  1  0.845  0.155  0.751  1.0
  O  O23  1  0.158  0.316  0.579  1.0
  O  O24  1  0.311  0.155  0.751  1.0
  O  O25  1  0.000  0.000  0.916  1.0
  O  O26  1  0.684  0.842  0.579  1.0
  O  O27  1  0.000  0.000  0.425  1.0
  O  O28  1  0.845  0.689  0.751  1.0
  O  O29  1  0.158  0.842  0.579  1.0
  O  O30  1  0.512  0.488  0.418  1.0
  O  O31  1  0.823  0.647  0.245  1.0
  O  O32  1  0.977  0.488  0.418  1.0
  O  O33  1  0.667  0.333  0.576  1.0
  O  O34  1  0.667  0.333  0.091  1.0
  O  O35  1  0.353  0.177  0.245  1.0
  O  O36  1  0.512  0.023  0.418  1.0
  O  O37  1  0.823  0.177  0.245  1.0
  O  O38  1  0.178  0.822  0.085  1.0
  O  O39  1  0.333  0.667  0.243  1.0
  O  O40  1  0.644  0.822  0.085  1.0
  O  O41  1  0.178  0.356  0.085  1.0
[/CIF]
.
The crystal structure described by CaBi2O4 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(10) and three equivalent O(1) atoms to form CaO4 tetrahedra that share corners with three equivalent Ca(3)O6 octahedra, corners with three equivalent Bi(4)O6 octahedra, and corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. In the second Ca site, Ca(2) is bonded to one O(2) and three equivalent O(4) atoms to form CaO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra, corners with three equivalent Bi(3)O6 octahedra, and corners with six equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. In the third Ca site, Ca(3) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form CaO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Bi(6)O4 tetrahedra, edges with three equivalent Bi(1)O6 octahedra, and edges with three equivalent Bi(4)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(6) and three equivalent O(8) atoms to form CaO4 tetrahedra that share corners with three equivalent Bi(2)O6 octahedra, corners with three equivalent Bi(5)O6 octahedra, and corners with six equivalent Bi(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. In the fifth Ca site, Ca(5) is bonded to one O(9) and three equivalent O(3) atoms to form CaO4 tetrahedra that share corners with three equivalent Bi(2)O6 octahedra, corners with three equivalent Bi(3)O6 octahedra, and corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the sixth Ca site, Ca(6) is bonded to one O(12) and three equivalent O(7) atoms to form CaO4 tetrahedra that share corners with three equivalent Bi(4)O6 octahedra, corners with three equivalent Bi(5)O6 octahedra, and corners with six equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form BiO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Bi(6)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Ca(5)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra, and edges with four equivalent Bi(1)O6 octahedra. In the second Bi site, Bi(2) is bonded to one O(6), one O(9), two equivalent O(4), and two equivalent O(7) atoms to form BiO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  a cornercorner with one Ca(5)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Ca(6)O4 tetrahedra,  an edgeedge with one Bi(3)O6 octahedra,  an edgeedge with one Bi(5)O6 octahedra, and edges with four equivalent Bi(2)O6 octahedra. In the third Bi site, Bi(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form BiO6 octahedra that share corners with three equivalent Ca(2)O4 tetrahedra, corners with three equivalent Ca(5)O4 tetrahedra, edges with three equivalent Bi(1)O6 octahedra, and edges with three equivalent Bi(2)O6 octahedra. In the fourth Bi site, Bi(4) is bonded to one O(10), one O(12), two equivalent O(11), and two equivalent O(8) atoms to form BiO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(6)O4 tetrahedra, corners with two equivalent Ca(4)O4 tetrahedra, corners with two equivalent Bi(6)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Bi(5)O6 octahedra, and edges with four equivalent Bi(4)O6 octahedra. In the fifth Bi site, Bi(5) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form BiO6 octahedra that share corners with three equivalent Ca(4)O4 tetrahedra, corners with three equivalent Ca(6)O4 tetrahedra, edges with three equivalent Bi(2)O6 octahedra, and edges with three equivalent Bi(4)O6 octahedra. In the sixth Bi site, Bi(6) is bonded to one O(5) and three equivalent O(11) atoms to form BiO4 tetrahedra that share corners with three equivalent Ca(3)O6 octahedra, corners with three equivalent Bi(1)O6 octahedra, and corners with six equivalent Bi(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(3), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OCa2Bi2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2) and three equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ca(5), one Bi(3), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Bi(3), and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Bi(6) and three equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ca(4) and three equivalent Bi(2) atoms. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Bi(5), and two equivalent Bi(2) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Bi(5), and two equivalent Bi(4) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal pyramidal geometry to one Ca(5) and three equivalent Bi(2) atoms. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1) and three equivalent Bi(4) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Ca(3), one Bi(6), and two equivalent Bi(4) atoms. In the twelfth O site, O(12) is bonded in a distorted trigonal pyramidal geometry to one Ca(6) and three equivalent Bi(4) atoms. is represented by the CIF card [CIF]
data_Ca(BiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.070
_cell_length_b   7.070
_cell_length_c   17.310
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   749.307
_cell_formula_units_Z   6
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  0.667  0.333  0.956  1.0
  Ca  Ca1  1  0.333  0.667  0.625  1.0
  Ca  Ca2  1  0.333  0.667  0.998  1.0
  Ca  Ca3  1  0.000  0.000  0.292  1.0
  Ca  Ca4  1  0.667  0.333  0.709  1.0
  Ca  Ca5  1  0.333  0.667  0.376  1.0
  Bi  Bi6  1  0.170  0.830  0.836  1.0
  Bi  Bi7  1  0.170  0.339  0.836  1.0
  Bi  Bi8  1  0.834  0.166  0.502  1.0
  Bi  Bi9  1  0.661  0.830  0.836  1.0
  Bi  Bi10  1  0.000  0.000  0.671  1.0
  Bi  Bi11  1  0.834  0.668  0.502  1.0
  Bi  Bi12  1  0.500  0.500  0.167  1.0
  Bi  Bi13  1  0.332  0.166  0.502  1.0
  Bi  Bi14  1  0.999  0.500  0.167  1.0
  Bi  Bi15  1  0.667  0.333  0.336  1.0
  Bi  Bi16  1  0.500  0.001  0.167  1.0
  Bi  Bi17  1  0.000  0.000  0.045  1.0
  O  O18  1  0.487  0.974  0.912  1.0
  O  O19  1  0.333  0.667  0.761  1.0
  O  O20  1  0.026  0.513  0.912  1.0
  O  O21  1  0.487  0.513  0.912  1.0
  O  O22  1  0.845  0.155  0.751  1.0
  O  O23  1  0.158  0.316  0.579  1.0
  O  O24  1  0.311  0.155  0.751  1.0
  O  O25  1  0.000  0.000  0.916  1.0
  O  O26  1  0.684  0.842  0.579  1.0
  O  O27  1  0.000  0.000  0.425  1.0
  O  O28  1  0.845  0.689  0.751  1.0
  O  O29  1  0.158  0.842  0.579  1.0
  O  O30  1  0.512  0.488  0.418  1.0
  O  O31  1  0.823  0.647  0.245  1.0
  O  O32  1  0.977  0.488  0.418  1.0
  O  O33  1  0.667  0.333  0.576  1.0
  O  O34  1  0.667  0.333  0.091  1.0
  O  O35  1  0.353  0.177  0.245  1.0
  O  O36  1  0.512  0.023  0.418  1.0
  O  O37  1  0.823  0.177  0.245  1.0
  O  O38  1  0.178  0.822  0.085  1.0
  O  O39  1  0.333  0.667  0.243  1.0
  O  O40  1  0.644  0.822  0.085  1.0
  O  O41  1  0.178  0.356  0.085  1.0
[/CIF]
.