The material structure described by CaBi2O5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form distorted CaO6 octahedra that share corners with two equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the second Bi site, Bi(2) 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 distorted BiO6 octahedra that share  a cornercorner with one Ca(2)O6 octahedra and  a cornercorner with one Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(7), and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form distorted OBi4 trigonal pyramids that share  a cornercorner with one O(4)Ca2Bi2 tetrahedra,  a cornercorner with one O(5)Ca2Bi2 tetrahedra, corners with two equivalent O(2)Ca2Bi2 trigonal pyramids,  an edgeedge with one O(7)Bi4 tetrahedra,  an edgeedge with one O(4)Ca2Bi2 tetrahedra,  an edgeedge with one O(5)Ca2Bi2 tetrahedra, and  an edgeedge with one O(1)Bi4 trigonal pyramid. In the second O site, O(2) is bonded to two equivalent Ca(1), one Bi(2), and one Bi(3) atom to form OCa2Bi2 trigonal pyramids that share  a cornercorner with one O(4)Ca2Bi2 tetrahedra,  a cornercorner with one O(5)Ca2Bi2 tetrahedra, corners with two equivalent O(1)Bi4 trigonal pyramids,  an edgeedge with one O(7)Bi4 tetrahedra,  an edgeedge with one O(4)Ca2Bi2 tetrahedra,  an edgeedge with one O(5)Ca2Bi2 tetrahedra, and  an edgeedge with one O(2)Ca2Bi2 trigonal pyramid. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), one Bi(1), and one Bi(2) atom to form distorted OCa2Bi2 tetrahedra that share  a cornercorner with one O(7)Bi4 tetrahedra,  a cornercorner with one O(4)Ca2Bi2 tetrahedra,  a cornercorner with one O(1)Bi4 trigonal pyramid,  a cornercorner with one O(2)Ca2Bi2 trigonal pyramid, edges with two equivalent O(5)Ca2Bi2 tetrahedra,  an edgeedge with one O(1)Bi4 trigonal pyramid, and  an edgeedge with one O(2)Ca2Bi2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), one Bi(1), and one Bi(3) atom to form distorted OCa2Bi2 tetrahedra that share  a cornercorner with one O(7)Bi4 tetrahedra,  a cornercorner with one O(5)Ca2Bi2 tetrahedra,  a cornercorner with one O(1)Bi4 trigonal pyramid,  a cornercorner with one O(2)Ca2Bi2 trigonal pyramid, edges with two equivalent O(4)Ca2Bi2 tetrahedra,  an edgeedge with one O(1)Bi4 trigonal pyramid, and  an edgeedge with one O(2)Ca2Bi2 trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Bi(1), and one Bi(2) atom. In the seventh O site, O(7) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form distorted OBi4 tetrahedra that share corners with two equivalent O(4)Ca2Bi2 tetrahedra, corners with two equivalent O(5)Ca2Bi2 tetrahedra, edges with two equivalent O(1)Bi4 trigonal pyramids, and edges with two equivalent O(2)Ca2Bi2 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2) and two equivalent Bi(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.706
_cell_length_b   8.706
_cell_length_c   11.350
_cell_angle_alpha   89.957
_cell_angle_beta   89.957
_cell_angle_gamma   83.517
_symmetry_Int_Tables_number   1
_cell_volume   854.829
_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  0.027  0.304  0.429  1.0
  Ca  Ca1  1  0.304  0.027  0.929  1.0
  Ca  Ca2  1  0.324  0.676  0.750  1.0
  Ca  Ca3  1  0.676  0.324  0.250  1.0
  Ca  Ca4  1  0.696  0.973  0.071  1.0
  Ca  Ca5  1  0.973  0.696  0.571  1.0
  Bi  Bi6  1  0.025  0.299  0.068  1.0
  Bi  Bi7  1  0.014  0.651  0.252  1.0
  Bi  Bi8  1  0.299  0.025  0.568  1.0
  Bi  Bi9  1  0.355  0.639  0.443  1.0
  Bi  Bi10  1  0.361  0.645  0.057  1.0
  Bi  Bi11  1  0.349  0.986  0.248  1.0
  Bi  Bi12  1  0.651  0.014  0.752  1.0
  Bi  Bi13  1  0.639  0.355  0.943  1.0
  Bi  Bi14  1  0.645  0.361  0.557  1.0
  Bi  Bi15  1  0.701  0.975  0.432  1.0
  Bi  Bi16  1  0.986  0.349  0.748  1.0
  Bi  Bi17  1  0.975  0.701  0.932  1.0
  O  O18  1  0.135  0.541  0.088  1.0
  O  O19  1  0.135  0.540  0.409  1.0
  O  O20  1  0.103  0.217  0.884  1.0
  O  O21  1  0.078  0.568  0.752  1.0
  O  O22  1  0.217  0.103  0.384  1.0
  O  O23  1  0.209  0.794  0.574  1.0
  O  O24  1  0.116  0.218  0.619  1.0
  O  O25  1  0.246  0.754  0.250  1.0
  O  O26  1  0.206  0.791  0.926  1.0
  O  O27  1  0.218  0.116  0.119  1.0
  O  O28  1  0.432  0.922  0.748  1.0
  O  O29  1  0.451  0.534  0.606  1.0
  O  O30  1  0.459  0.865  0.412  1.0
  O  O31  1  0.540  0.135  0.909  1.0
  O  O32  1  0.466  0.549  0.894  1.0
  O  O33  1  0.534  0.451  0.106  1.0
  O  O34  1  0.460  0.865  0.091  1.0
  O  O35  1  0.541  0.135  0.588  1.0
  O  O36  1  0.549  0.466  0.394  1.0
  O  O37  1  0.568  0.078  0.252  1.0
  O  O38  1  0.782  0.884  0.881  1.0
  O  O39  1  0.794  0.209  0.074  1.0
  O  O40  1  0.754  0.246  0.750  1.0
  O  O41  1  0.884  0.782  0.381  1.0
  O  O42  1  0.791  0.206  0.426  1.0
  O  O43  1  0.783  0.897  0.616  1.0
  O  O44  1  0.922  0.432  0.248  1.0
  O  O45  1  0.897  0.783  0.116  1.0
  O  O46  1  0.865  0.460  0.591  1.0
  O  O47  1  0.865  0.459  0.912  1.0
[/CIF]
.
The material structure described by CaBi2O5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form distorted CaO6 octahedra that share corners with two equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the second Bi site, Bi(2) 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 distorted BiO6 octahedra that share  a cornercorner with one Ca(2)O6 octahedra and  a cornercorner with one Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(7), and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form distorted OBi4 trigonal pyramids that share  a cornercorner with one O(4)Ca2Bi2 tetrahedra,  a cornercorner with one O(5)Ca2Bi2 tetrahedra, corners with two equivalent O(2)Ca2Bi2 trigonal pyramids,  an edgeedge with one O(7)Bi4 tetrahedra,  an edgeedge with one O(4)Ca2Bi2 tetrahedra,  an edgeedge with one O(5)Ca2Bi2 tetrahedra, and  an edgeedge with one O(1)Bi4 trigonal pyramid. In the second O site, O(2) is bonded to two equivalent Ca(1), one Bi(2), and one Bi(3) atom to form OCa2Bi2 trigonal pyramids that share  a cornercorner with one O(4)Ca2Bi2 tetrahedra,  a cornercorner with one O(5)Ca2Bi2 tetrahedra, corners with two equivalent O(1)Bi4 trigonal pyramids,  an edgeedge with one O(7)Bi4 tetrahedra,  an edgeedge with one O(4)Ca2Bi2 tetrahedra,  an edgeedge with one O(5)Ca2Bi2 tetrahedra, and  an edgeedge with one O(2)Ca2Bi2 trigonal pyramid. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), one Bi(1), and one Bi(2) atom to form distorted OCa2Bi2 tetrahedra that share  a cornercorner with one O(7)Bi4 tetrahedra,  a cornercorner with one O(4)Ca2Bi2 tetrahedra,  a cornercorner with one O(1)Bi4 trigonal pyramid,  a cornercorner with one O(2)Ca2Bi2 trigonal pyramid, edges with two equivalent O(5)Ca2Bi2 tetrahedra,  an edgeedge with one O(1)Bi4 trigonal pyramid, and  an edgeedge with one O(2)Ca2Bi2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), one Bi(1), and one Bi(3) atom to form distorted OCa2Bi2 tetrahedra that share  a cornercorner with one O(7)Bi4 tetrahedra,  a cornercorner with one O(5)Ca2Bi2 tetrahedra,  a cornercorner with one O(1)Bi4 trigonal pyramid,  a cornercorner with one O(2)Ca2Bi2 trigonal pyramid, edges with two equivalent O(4)Ca2Bi2 tetrahedra,  an edgeedge with one O(1)Bi4 trigonal pyramid, and  an edgeedge with one O(2)Ca2Bi2 trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Bi(1), and one Bi(2) atom. In the seventh O site, O(7) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form distorted OBi4 tetrahedra that share corners with two equivalent O(4)Ca2Bi2 tetrahedra, corners with two equivalent O(5)Ca2Bi2 tetrahedra, edges with two equivalent O(1)Bi4 trigonal pyramids, and edges with two equivalent O(2)Ca2Bi2 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2) and two equivalent Bi(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.706
_cell_length_b   8.706
_cell_length_c   11.350
_cell_angle_alpha   89.957
_cell_angle_beta   89.957
_cell_angle_gamma   83.517
_symmetry_Int_Tables_number   1
_cell_volume   854.829
_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  0.027  0.304  0.429  1.0
  Ca  Ca1  1  0.304  0.027  0.929  1.0
  Ca  Ca2  1  0.324  0.676  0.750  1.0
  Ca  Ca3  1  0.676  0.324  0.250  1.0
  Ca  Ca4  1  0.696  0.973  0.071  1.0
  Ca  Ca5  1  0.973  0.696  0.571  1.0
  Bi  Bi6  1  0.025  0.299  0.068  1.0
  Bi  Bi7  1  0.014  0.651  0.252  1.0
  Bi  Bi8  1  0.299  0.025  0.568  1.0
  Bi  Bi9  1  0.355  0.639  0.443  1.0
  Bi  Bi10  1  0.361  0.645  0.057  1.0
  Bi  Bi11  1  0.349  0.986  0.248  1.0
  Bi  Bi12  1  0.651  0.014  0.752  1.0
  Bi  Bi13  1  0.639  0.355  0.943  1.0
  Bi  Bi14  1  0.645  0.361  0.557  1.0
  Bi  Bi15  1  0.701  0.975  0.432  1.0
  Bi  Bi16  1  0.986  0.349  0.748  1.0
  Bi  Bi17  1  0.975  0.701  0.932  1.0
  O  O18  1  0.135  0.541  0.088  1.0
  O  O19  1  0.135  0.540  0.409  1.0
  O  O20  1  0.103  0.217  0.884  1.0
  O  O21  1  0.078  0.568  0.752  1.0
  O  O22  1  0.217  0.103  0.384  1.0
  O  O23  1  0.209  0.794  0.574  1.0
  O  O24  1  0.116  0.218  0.619  1.0
  O  O25  1  0.246  0.754  0.250  1.0
  O  O26  1  0.206  0.791  0.926  1.0
  O  O27  1  0.218  0.116  0.119  1.0
  O  O28  1  0.432  0.922  0.748  1.0
  O  O29  1  0.451  0.534  0.606  1.0
  O  O30  1  0.459  0.865  0.412  1.0
  O  O31  1  0.540  0.135  0.909  1.0
  O  O32  1  0.466  0.549  0.894  1.0
  O  O33  1  0.534  0.451  0.106  1.0
  O  O34  1  0.460  0.865  0.091  1.0
  O  O35  1  0.541  0.135  0.588  1.0
  O  O36  1  0.549  0.466  0.394  1.0
  O  O37  1  0.568  0.078  0.252  1.0
  O  O38  1  0.782  0.884  0.881  1.0
  O  O39  1  0.794  0.209  0.074  1.0
  O  O40  1  0.754  0.246  0.750  1.0
  O  O41  1  0.884  0.782  0.381  1.0
  O  O42  1  0.791  0.206  0.426  1.0
  O  O43  1  0.783  0.897  0.616  1.0
  O  O44  1  0.922  0.432  0.248  1.0
  O  O45  1  0.897  0.783  0.116  1.0
  O  O46  1  0.865  0.460  0.591  1.0
  O  O47  1  0.865  0.459  0.912  1.0
[/CIF]
.