The compound described by CaBi2O5 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted CaO6 octahedra that share corners with four equivalent Bi(1)O4 tetrahedra and  an edgeedge with one Ca(1)O6 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form BiO4 tetrahedra that share corners with four equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-66°. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded to two equivalent Ca(1) and two equivalent Bi(2) atoms to form edge-sharing OCa2Bi2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ca(1), one Bi(1), and one Bi(2) atom. is represented by the CIF file [CIF]
data_CaBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.951
_cell_length_b   8.904
_cell_length_c   12.161
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.574
_symmetry_Int_Tables_number   1
_cell_volume   607.100
_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  0.627  0.172  0.912  1.0
  Ca  Ca1  1  0.373  0.828  0.088  1.0
  Ca  Ca2  1  0.873  0.328  0.412  1.0
  Ca  Ca3  1  0.127  0.672  0.588  1.0
  Bi  Bi4  1  0.816  0.957  0.631  1.0
  Bi  Bi5  1  0.184  0.043  0.369  1.0
  Bi  Bi6  1  0.684  0.543  0.131  1.0
  Bi  Bi7  1  0.316  0.457  0.869  1.0
  Bi  Bi8  1  0.110  0.149  0.096  1.0
  Bi  Bi9  1  0.890  0.851  0.904  1.0
  Bi  Bi10  1  0.610  0.649  0.404  1.0
  Bi  Bi11  1  0.390  0.351  0.596  1.0
  O  O12  1  0.508  0.335  0.048  1.0
  O  O13  1  0.029  0.314  0.955  1.0
  O  O14  1  0.466  0.650  0.201  1.0
  O  O15  1  0.742  0.514  0.525  1.0
  O  O16  1  0.784  0.495  0.287  1.0
  O  O17  1  0.284  0.995  0.213  1.0
  O  O18  1  0.529  0.814  0.545  1.0
  O  O19  1  0.471  0.186  0.455  1.0
  O  O20  1  0.258  0.486  0.475  1.0
  O  O21  1  0.992  0.165  0.548  1.0
  O  O22  1  0.216  0.505  0.713  1.0
  O  O23  1  0.492  0.665  0.952  1.0
  O  O24  1  0.008  0.835  0.452  1.0
  O  O25  1  0.716  0.005  0.787  1.0
  O  O26  1  0.758  0.986  0.025  1.0
  O  O27  1  0.242  0.014  0.975  1.0
  O  O28  1  0.534  0.350  0.799  1.0
  O  O29  1  0.971  0.686  0.045  1.0
  O  O30  1  0.034  0.850  0.701  1.0
  O  O31  1  0.966  0.150  0.299  1.0
[/CIF]
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The compound described by CaBi2O5 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted CaO6 octahedra that share corners with four equivalent Bi(1)O4 tetrahedra and  an edgeedge with one Ca(1)O6 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form BiO4 tetrahedra that share corners with four equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-66°. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded to two equivalent Ca(1) and two equivalent Bi(2) atoms to form edge-sharing OCa2Bi2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ca(1), one Bi(1), and one Bi(2) atom. is represented by the CIF file [CIF]
data_CaBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.951
_cell_length_b   8.904
_cell_length_c   12.161
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.574
_symmetry_Int_Tables_number   1
_cell_volume   607.100
_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  0.627  0.172  0.912  1.0
  Ca  Ca1  1  0.373  0.828  0.088  1.0
  Ca  Ca2  1  0.873  0.328  0.412  1.0
  Ca  Ca3  1  0.127  0.672  0.588  1.0
  Bi  Bi4  1  0.816  0.957  0.631  1.0
  Bi  Bi5  1  0.184  0.043  0.369  1.0
  Bi  Bi6  1  0.684  0.543  0.131  1.0
  Bi  Bi7  1  0.316  0.457  0.869  1.0
  Bi  Bi8  1  0.110  0.149  0.096  1.0
  Bi  Bi9  1  0.890  0.851  0.904  1.0
  Bi  Bi10  1  0.610  0.649  0.404  1.0
  Bi  Bi11  1  0.390  0.351  0.596  1.0
  O  O12  1  0.508  0.335  0.048  1.0
  O  O13  1  0.029  0.314  0.955  1.0
  O  O14  1  0.466  0.650  0.201  1.0
  O  O15  1  0.742  0.514  0.525  1.0
  O  O16  1  0.784  0.495  0.287  1.0
  O  O17  1  0.284  0.995  0.213  1.0
  O  O18  1  0.529  0.814  0.545  1.0
  O  O19  1  0.471  0.186  0.455  1.0
  O  O20  1  0.258  0.486  0.475  1.0
  O  O21  1  0.992  0.165  0.548  1.0
  O  O22  1  0.216  0.505  0.713  1.0
  O  O23  1  0.492  0.665  0.952  1.0
  O  O24  1  0.008  0.835  0.452  1.0
  O  O25  1  0.716  0.005  0.787  1.0
  O  O26  1  0.758  0.986  0.025  1.0
  O  O27  1  0.242  0.014  0.975  1.0
  O  O28  1  0.534  0.350  0.799  1.0
  O  O29  1  0.971  0.686  0.045  1.0
  O  O30  1  0.034  0.850  0.701  1.0
  O  O31  1  0.966  0.150  0.299  1.0
[/CIF]
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