The material structure described by CaCoBiO5 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 two equivalent Bi(1)O6 octahedra, corners with four equivalent Co(1)O4 tetrahedra,  an edgeedge with one Ca(1)O6 octahedra, and edges with three equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-39°. Co(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form CoO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with four equivalent Ca(1)O6 octahedra, and  an edgeedge with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-63°. Bi(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 BiO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra,  an edgeedge with one Bi(1)O6 octahedra, edges with three equivalent Ca(1)O6 octahedra, and  an edgeedge with one Co(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-39°. 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 Co(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ca(1), one Co(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Co(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to two equivalent Ca(1) and two equivalent Bi(1) atoms to form distorted edge-sharing OCa2Bi2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Co(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCoBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.706
_cell_length_b   5.875
_cell_length_c   8.424
_cell_angle_alpha   72.544
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   505.444
_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  0.094  0.539  0.810  1.0
  Ca  Ca1  1  0.906  0.461  0.190  1.0
  Ca  Ca2  1  0.594  0.461  0.690  1.0
  Ca  Ca3  1  0.406  0.539  0.310  1.0
  Co  Co4  1  0.372  0.138  0.047  1.0
  Co  Co5  1  0.628  0.862  0.953  1.0
  Co  Co6  1  0.872  0.862  0.453  1.0
  Co  Co7  1  0.128  0.138  0.547  1.0
  Bi  Bi8  1  0.899  0.008  0.846  1.0
  Bi  Bi9  1  0.101  0.992  0.154  1.0
  Bi  Bi10  1  0.601  0.008  0.346  1.0
  Bi  Bi11  1  0.399  0.992  0.654  1.0
  O  O12  1  0.934  0.823  0.662  1.0
  O  O13  1  0.029  0.256  0.683  1.0
  O  O14  1  0.786  0.148  0.338  1.0
  O  O15  1  0.457  0.776  0.491  1.0
  O  O16  1  0.718  0.707  0.483  1.0
  O  O17  1  0.782  0.707  0.983  1.0
  O  O18  1  0.471  0.256  0.183  1.0
  O  O19  1  0.529  0.744  0.817  1.0
  O  O20  1  0.543  0.224  0.509  1.0
  O  O21  1  0.434  0.177  0.838  1.0
  O  O22  1  0.282  0.293  0.517  1.0
  O  O23  1  0.066  0.177  0.338  1.0
  O  O24  1  0.566  0.823  0.162  1.0
  O  O25  1  0.218  0.293  0.017  1.0
  O  O26  1  0.957  0.224  0.009  1.0
  O  O27  1  0.043  0.776  0.991  1.0
  O  O28  1  0.214  0.852  0.662  1.0
  O  O29  1  0.971  0.744  0.317  1.0
  O  O30  1  0.286  0.852  0.162  1.0
  O  O31  1  0.714  0.148  0.838  1.0
[/CIF]
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The material structure described by CaCoBiO5 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 two equivalent Bi(1)O6 octahedra, corners with four equivalent Co(1)O4 tetrahedra,  an edgeedge with one Ca(1)O6 octahedra, and edges with three equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-39°. Co(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form CoO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with four equivalent Ca(1)O6 octahedra, and  an edgeedge with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-63°. Bi(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 BiO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra,  an edgeedge with one Bi(1)O6 octahedra, edges with three equivalent Ca(1)O6 octahedra, and  an edgeedge with one Co(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-39°. 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 Co(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ca(1), one Co(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Co(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to two equivalent Ca(1) and two equivalent Bi(1) atoms to form distorted edge-sharing OCa2Bi2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Co(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCoBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.706
_cell_length_b   5.875
_cell_length_c   8.424
_cell_angle_alpha   72.544
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   505.444
_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  0.094  0.539  0.810  1.0
  Ca  Ca1  1  0.906  0.461  0.190  1.0
  Ca  Ca2  1  0.594  0.461  0.690  1.0
  Ca  Ca3  1  0.406  0.539  0.310  1.0
  Co  Co4  1  0.372  0.138  0.047  1.0
  Co  Co5  1  0.628  0.862  0.953  1.0
  Co  Co6  1  0.872  0.862  0.453  1.0
  Co  Co7  1  0.128  0.138  0.547  1.0
  Bi  Bi8  1  0.899  0.008  0.846  1.0
  Bi  Bi9  1  0.101  0.992  0.154  1.0
  Bi  Bi10  1  0.601  0.008  0.346  1.0
  Bi  Bi11  1  0.399  0.992  0.654  1.0
  O  O12  1  0.934  0.823  0.662  1.0
  O  O13  1  0.029  0.256  0.683  1.0
  O  O14  1  0.786  0.148  0.338  1.0
  O  O15  1  0.457  0.776  0.491  1.0
  O  O16  1  0.718  0.707  0.483  1.0
  O  O17  1  0.782  0.707  0.983  1.0
  O  O18  1  0.471  0.256  0.183  1.0
  O  O19  1  0.529  0.744  0.817  1.0
  O  O20  1  0.543  0.224  0.509  1.0
  O  O21  1  0.434  0.177  0.838  1.0
  O  O22  1  0.282  0.293  0.517  1.0
  O  O23  1  0.066  0.177  0.338  1.0
  O  O24  1  0.566  0.823  0.162  1.0
  O  O25  1  0.218  0.293  0.017  1.0
  O  O26  1  0.957  0.224  0.009  1.0
  O  O27  1  0.043  0.776  0.991  1.0
  O  O28  1  0.214  0.852  0.662  1.0
  O  O29  1  0.971  0.744  0.317  1.0
  O  O30  1  0.286  0.852  0.162  1.0
  O  O31  1  0.714  0.148  0.838  1.0
[/CIF]
.