The structure described by CaBi2O4 is Spinel-like structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(13), one O(3), and two equivalent O(1) atoms to form CaO4 tetrahedra that share  a cornercorner with one Ca(6)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Bi(6)O6 octahedra, corners with three equivalent Bi(3)O6 octahedra, and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the second Ca site, Ca(2) is bonded to one O(5), one O(9), two equivalent O(4), and two equivalent O(7) atoms to form CaO6 octahedra that share corners with three equivalent Bi(2)O4 tetrahedra, corners with three equivalent Bi(7)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with two equivalent Bi(4)O6 octahedra. In the third Ca site, Ca(3) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(7) atoms to form CaO6 octahedra that share  a cornercorner with one Bi(2)O4 tetrahedra,  a cornercorner with one Bi(9)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Bi(7)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra, and edges with four equivalent Bi(1)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(11), one O(15), two equivalent O(10), and two equivalent O(12) atoms to form CaO6 octahedra that share corners with three equivalent Bi(5)O4 tetrahedra, corners with three equivalent Bi(8)O4 tetrahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra, edges with two equivalent Bi(4)O6 octahedra, and edges with two equivalent Bi(6)O6 octahedra. In the fifth Ca site, Ca(5) is bonded to one O(14), one O(6), two equivalent O(12), and two equivalent O(4) atoms to form CaO6 octahedra that share  a cornercorner with one Bi(5)O4 tetrahedra,  a cornercorner with one Bi(7)O4 tetrahedra, corners with two equivalent Bi(2)O4 tetrahedra, corners with two equivalent Bi(8)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, and edges with four equivalent Bi(4)O6 octahedra. In the sixth Ca site, Ca(6) is bonded to one O(13), one O(18), two equivalent O(10), and two equivalent O(17) atoms to form CaO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Bi(8)O4 tetrahedra, corners with two equivalent Bi(5)O4 tetrahedra, corners with two equivalent Bi(9)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra, and edges with four equivalent Bi(6)O6 octahedra. There are nine inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form BiO6 octahedra that share  a cornercorner with one Bi(2)O4 tetrahedra,  a cornercorner with one Bi(9)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Bi(7)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Bi(1)O6 octahedra. In the second Bi site, Bi(2) is bonded to one O(2), one O(9), and two equivalent O(4) atoms to form BiO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Ca(2)O6 octahedra, and corners with four equivalent Bi(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the third Bi site, Bi(3) is bonded to one O(16), one O(3), two equivalent O(1), and two equivalent O(17) atoms to form BiO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Bi(9)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with two equivalent Bi(6)O6 octahedra. In the fourth Bi site, Bi(4) is bonded to one O(11), one O(12), one O(14), one O(4), one O(6), and one O(9) atom to form BiO6 octahedra that share  a cornercorner with one Bi(5)O4 tetrahedra,  a cornercorner with one Bi(7)O4 tetrahedra, corners with two equivalent Bi(2)O4 tetrahedra, corners with two equivalent Bi(8)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Bi(4)O6 octahedra. In the fifth Bi site, Bi(5) is bonded to one O(15), one O(6), and two equivalent O(10) atoms to form BiO4 tetrahedra that share  a cornercorner with one Ca(5)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent Bi(4)O6 octahedra, corners with three equivalent Ca(4)O6 octahedra, and corners with four equivalent Bi(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the sixth Bi site, Bi(6) is bonded to one O(10), one O(13), one O(15), one O(16), one O(17), and one O(18) atom to form BiO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Bi(8)O4 tetrahedra, corners with two equivalent Bi(5)O4 tetrahedra, corners with two equivalent Bi(9)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent Bi(6)O6 octahedra. In the seventh Bi site, Bi(7) is bonded to one O(14), one O(5), and two equivalent O(7) atoms to form BiO4 tetrahedra that share  a cornercorner with one Ca(5)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Bi(4)O6 octahedra, corners with three equivalent Ca(2)O6 octahedra, and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the eighth Bi site, Bi(8) is bonded to one O(11), one O(18), and two equivalent O(12) atoms to form BiO4 tetrahedra that share  a cornercorner with one Ca(6)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Bi(6)O6 octahedra, corners with three equivalent Ca(4)O6 octahedra, and corners with four equivalent Bi(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the ninth Bi site, Bi(9) is bonded to one O(16), one O(8), and two equivalent O(17) atoms to form BiO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Bi(3)O6 octahedra, and corners with four equivalent Bi(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(3), one Bi(1), and one Bi(3) atom 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(3), one Bi(2), and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Bi(3), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded to one Ca(2), one Ca(5), one Bi(2), and one Bi(4) atom to form a mixture of distorted corner and edge-sharing OCa2Bi2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Bi(7), and two equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ca(5), one Bi(5), and two equivalent Bi(4) atoms. In the seventh O site, O(7) is bonded to one Ca(2), one Ca(3), one Bi(1), and one Bi(7) atom to form a mixture of distorted corner and edge-sharing OCa2Bi2 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Ca(3), one Bi(9), and two equivalent Bi(1) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Bi(2), and two equivalent Bi(4) atoms. In the tenth O site, O(10) is bonded to one Ca(4), one Ca(6), one Bi(5), and one Bi(6) atom to form a mixture of distorted corner and edge-sharing OCa2Bi2 trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Ca(4), one Bi(8), and two equivalent Bi(4) atoms. In the twelfth O site, O(12) is bonded to one Ca(4), one Ca(5), one Bi(4), and one Bi(8) atom to form a mixture of distorted corner and edge-sharing OCa2Bi2 trigonal pyramids. In the thirteenth O site, O(13) is bonded to one Ca(1), one Ca(6), and two equivalent Bi(6) atoms to form a mixture of distorted corner and edge-sharing OCa2Bi2 trigonal pyramids. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Ca(5), one Bi(7), and two equivalent Bi(4) atoms. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Ca(4), one Bi(5), and two equivalent Bi(6) atoms. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Bi(3), one Bi(9), and two equivalent Bi(6) atoms. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Bi(3), one Bi(6), and one Bi(9) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Bi(8), and two equivalent Bi(6) atoms. is represented by the CIF card [CIF]
data_Ca(BiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.013
_cell_length_b   7.013
_cell_length_c   17.198
_cell_angle_alpha   89.780
_cell_angle_beta   89.780
_cell_angle_gamma   59.845
_symmetry_Int_Tables_number   1
_cell_volume   731.341
_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  0.836  0.836  0.959  1.0
  Ca  Ca1  1  0.167  0.167  0.666  1.0
  Ca  Ca2  1  0.334  0.334  0.833  1.0
  Ca  Ca3  1  0.833  0.833  0.335  1.0
  Ca  Ca4  1  1.000  1.000  0.500  1.0
  Ca  Ca5  1  0.667  0.667  0.167  1.0
  Bi  Bi6  1  0.835  0.333  0.832  1.0
  Bi  Bi7  1  0.503  0.503  0.623  1.0
  Bi  Bi8  1  0.498  0.498  0.995  1.0
  Bi  Bi9  1  0.333  0.835  0.832  1.0
  Bi  Bi10  1  0.500  1.000  0.500  1.0
  Bi  Bi11  1  0.169  0.169  0.291  1.0
  Bi  Bi12  1  1.000  0.500  0.500  1.0
  Bi  Bi13  1  0.160  0.668  0.168  1.0
  Bi  Bi14  1  0.830  0.830  0.710  1.0
  Bi  Bi15  1  0.668  0.160  0.168  1.0
  Bi  Bi16  1  0.497  0.497  0.376  1.0
  Bi  Bi17  1  0.163  0.163  0.041  1.0
  O  O18  1  0.652  0.194  0.914  1.0
  O  O19  1  0.499  0.499  0.756  1.0
  O  O20  1  0.194  0.652  0.914  1.0
  O  O21  1  0.657  0.657  0.914  1.0
  O  O22  1  0.322  0.857  0.580  1.0
  O  O23  1  0.009  0.009  0.752  1.0
  O  O24  1  0.166  0.166  0.424  1.0
  O  O25  1  0.477  0.011  0.753  1.0
  O  O26  1  0.857  0.322  0.580  1.0
  O  O27  1  0.167  0.167  0.908  1.0
  O  O28  1  0.323  0.323  0.581  1.0
  O  O29  1  0.011  0.477  0.753  1.0
  O  O30  1  0.990  0.523  0.248  1.0
  O  O31  1  0.677  0.677  0.418  1.0
  O  O32  1  0.143  0.678  0.420  1.0
  O  O33  1  0.523  0.990  0.248  1.0
  O  O34  1  0.834  0.834  0.094  1.0
  O  O35  1  0.834  0.834  0.576  1.0
  O  O36  1  0.989  0.989  0.248  1.0
  O  O37  1  0.678  0.143  0.420  1.0
  O  O38  1  0.338  0.338  0.086  1.0
  O  O39  1  0.816  0.344  0.087  1.0
  O  O40  1  0.502  0.502  0.244  1.0
  O  O41  1  0.344  0.816  0.087  1.0
[/CIF]
.
The structure described by CaBi2O4 is Spinel-like structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(13), one O(3), and two equivalent O(1) atoms to form CaO4 tetrahedra that share  a cornercorner with one Ca(6)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Bi(6)O6 octahedra, corners with three equivalent Bi(3)O6 octahedra, and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the second Ca site, Ca(2) is bonded to one O(5), one O(9), two equivalent O(4), and two equivalent O(7) atoms to form CaO6 octahedra that share corners with three equivalent Bi(2)O4 tetrahedra, corners with three equivalent Bi(7)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with two equivalent Bi(4)O6 octahedra. In the third Ca site, Ca(3) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(7) atoms to form CaO6 octahedra that share  a cornercorner with one Bi(2)O4 tetrahedra,  a cornercorner with one Bi(9)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Bi(7)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra, and edges with four equivalent Bi(1)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(11), one O(15), two equivalent O(10), and two equivalent O(12) atoms to form CaO6 octahedra that share corners with three equivalent Bi(5)O4 tetrahedra, corners with three equivalent Bi(8)O4 tetrahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra, edges with two equivalent Bi(4)O6 octahedra, and edges with two equivalent Bi(6)O6 octahedra. In the fifth Ca site, Ca(5) is bonded to one O(14), one O(6), two equivalent O(12), and two equivalent O(4) atoms to form CaO6 octahedra that share  a cornercorner with one Bi(5)O4 tetrahedra,  a cornercorner with one Bi(7)O4 tetrahedra, corners with two equivalent Bi(2)O4 tetrahedra, corners with two equivalent Bi(8)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, and edges with four equivalent Bi(4)O6 octahedra. In the sixth Ca site, Ca(6) is bonded to one O(13), one O(18), two equivalent O(10), and two equivalent O(17) atoms to form CaO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Bi(8)O4 tetrahedra, corners with two equivalent Bi(5)O4 tetrahedra, corners with two equivalent Bi(9)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra, and edges with four equivalent Bi(6)O6 octahedra. There are nine inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form BiO6 octahedra that share  a cornercorner with one Bi(2)O4 tetrahedra,  a cornercorner with one Bi(9)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Bi(7)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Bi(1)O6 octahedra. In the second Bi site, Bi(2) is bonded to one O(2), one O(9), and two equivalent O(4) atoms to form BiO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Ca(2)O6 octahedra, and corners with four equivalent Bi(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the third Bi site, Bi(3) is bonded to one O(16), one O(3), two equivalent O(1), and two equivalent O(17) atoms to form BiO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Bi(9)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with two equivalent Bi(6)O6 octahedra. In the fourth Bi site, Bi(4) is bonded to one O(11), one O(12), one O(14), one O(4), one O(6), and one O(9) atom to form BiO6 octahedra that share  a cornercorner with one Bi(5)O4 tetrahedra,  a cornercorner with one Bi(7)O4 tetrahedra, corners with two equivalent Bi(2)O4 tetrahedra, corners with two equivalent Bi(8)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Bi(4)O6 octahedra. In the fifth Bi site, Bi(5) is bonded to one O(15), one O(6), and two equivalent O(10) atoms to form BiO4 tetrahedra that share  a cornercorner with one Ca(5)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent Bi(4)O6 octahedra, corners with three equivalent Ca(4)O6 octahedra, and corners with four equivalent Bi(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the sixth Bi site, Bi(6) is bonded to one O(10), one O(13), one O(15), one O(16), one O(17), and one O(18) atom to form BiO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Bi(8)O4 tetrahedra, corners with two equivalent Bi(5)O4 tetrahedra, corners with two equivalent Bi(9)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent Bi(6)O6 octahedra. In the seventh Bi site, Bi(7) is bonded to one O(14), one O(5), and two equivalent O(7) atoms to form BiO4 tetrahedra that share  a cornercorner with one Ca(5)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Bi(4)O6 octahedra, corners with three equivalent Ca(2)O6 octahedra, and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the eighth Bi site, Bi(8) is bonded to one O(11), one O(18), and two equivalent O(12) atoms to form BiO4 tetrahedra that share  a cornercorner with one Ca(6)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Bi(6)O6 octahedra, corners with three equivalent Ca(4)O6 octahedra, and corners with four equivalent Bi(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the ninth Bi site, Bi(9) is bonded to one O(16), one O(8), and two equivalent O(17) atoms to form BiO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Bi(3)O6 octahedra, and corners with four equivalent Bi(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(3), one Bi(1), and one Bi(3) atom 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(3), one Bi(2), and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Bi(3), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded to one Ca(2), one Ca(5), one Bi(2), and one Bi(4) atom to form a mixture of distorted corner and edge-sharing OCa2Bi2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Bi(7), and two equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ca(5), one Bi(5), and two equivalent Bi(4) atoms. In the seventh O site, O(7) is bonded to one Ca(2), one Ca(3), one Bi(1), and one Bi(7) atom to form a mixture of distorted corner and edge-sharing OCa2Bi2 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Ca(3), one Bi(9), and two equivalent Bi(1) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one Bi(2), and two equivalent Bi(4) atoms. In the tenth O site, O(10) is bonded to one Ca(4), one Ca(6), one Bi(5), and one Bi(6) atom to form a mixture of distorted corner and edge-sharing OCa2Bi2 trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Ca(4), one Bi(8), and two equivalent Bi(4) atoms. In the twelfth O site, O(12) is bonded to one Ca(4), one Ca(5), one Bi(4), and one Bi(8) atom to form a mixture of distorted corner and edge-sharing OCa2Bi2 trigonal pyramids. In the thirteenth O site, O(13) is bonded to one Ca(1), one Ca(6), and two equivalent Bi(6) atoms to form a mixture of distorted corner and edge-sharing OCa2Bi2 trigonal pyramids. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Ca(5), one Bi(7), and two equivalent Bi(4) atoms. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Ca(4), one Bi(5), and two equivalent Bi(6) atoms. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Bi(3), one Bi(9), and two equivalent Bi(6) atoms. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Bi(3), one Bi(6), and one Bi(9) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Bi(8), and two equivalent Bi(6) atoms. is represented by the CIF card [CIF]
data_Ca(BiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.013
_cell_length_b   7.013
_cell_length_c   17.198
_cell_angle_alpha   89.780
_cell_angle_beta   89.780
_cell_angle_gamma   59.845
_symmetry_Int_Tables_number   1
_cell_volume   731.341
_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  0.836  0.836  0.959  1.0
  Ca  Ca1  1  0.167  0.167  0.666  1.0
  Ca  Ca2  1  0.334  0.334  0.833  1.0
  Ca  Ca3  1  0.833  0.833  0.335  1.0
  Ca  Ca4  1  1.000  1.000  0.500  1.0
  Ca  Ca5  1  0.667  0.667  0.167  1.0
  Bi  Bi6  1  0.835  0.333  0.832  1.0
  Bi  Bi7  1  0.503  0.503  0.623  1.0
  Bi  Bi8  1  0.498  0.498  0.995  1.0
  Bi  Bi9  1  0.333  0.835  0.832  1.0
  Bi  Bi10  1  0.500  1.000  0.500  1.0
  Bi  Bi11  1  0.169  0.169  0.291  1.0
  Bi  Bi12  1  1.000  0.500  0.500  1.0
  Bi  Bi13  1  0.160  0.668  0.168  1.0
  Bi  Bi14  1  0.830  0.830  0.710  1.0
  Bi  Bi15  1  0.668  0.160  0.168  1.0
  Bi  Bi16  1  0.497  0.497  0.376  1.0
  Bi  Bi17  1  0.163  0.163  0.041  1.0
  O  O18  1  0.652  0.194  0.914  1.0
  O  O19  1  0.499  0.499  0.756  1.0
  O  O20  1  0.194  0.652  0.914  1.0
  O  O21  1  0.657  0.657  0.914  1.0
  O  O22  1  0.322  0.857  0.580  1.0
  O  O23  1  0.009  0.009  0.752  1.0
  O  O24  1  0.166  0.166  0.424  1.0
  O  O25  1  0.477  0.011  0.753  1.0
  O  O26  1  0.857  0.322  0.580  1.0
  O  O27  1  0.167  0.167  0.908  1.0
  O  O28  1  0.323  0.323  0.581  1.0
  O  O29  1  0.011  0.477  0.753  1.0
  O  O30  1  0.990  0.523  0.248  1.0
  O  O31  1  0.677  0.677  0.418  1.0
  O  O32  1  0.143  0.678  0.420  1.0
  O  O33  1  0.523  0.990  0.248  1.0
  O  O34  1  0.834  0.834  0.094  1.0
  O  O35  1  0.834  0.834  0.576  1.0
  O  O36  1  0.989  0.989  0.248  1.0
  O  O37  1  0.678  0.143  0.420  1.0
  O  O38  1  0.338  0.338  0.086  1.0
  O  O39  1  0.816  0.344  0.087  1.0
  O  O40  1  0.502  0.502  0.244  1.0
  O  O41  1  0.344  0.816  0.087  1.0
[/CIF]
.