The structure described by CaCo5O7 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Co site, Co(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. In the third Co site, Co(3) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Ca(1), one Co(3), two equivalent Co(1), and two equivalent Co(2) atoms to form distorted OCaCo5 octahedra that share corners with two equivalent O(3)CaCo5 octahedra, corners with two equivalent O(1)Co6 octahedra, corners with four equivalent O(2)Ca2Co3 square pyramids, edges with two equivalent O(3)CaCo5 octahedra, edges with five equivalent O(1)Co6 octahedra, edges with three equivalent O(2)Ca2Co3 square pyramids, and edges with two equivalent O(4)Ca2Co2 tetrahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the second O site, O(4) is bonded to two equivalent Ca(1) and two equivalent Co(2) atoms to form distorted OCa2Co2 tetrahedra that share corners with two equivalent O(1)Co6 octahedra, corners with eight equivalent O(2)Ca2Co3 square pyramids, corners with two equivalent O(4)Ca2Co2 tetrahedra, edges with four equivalent O(3)CaCo5 octahedra, and edges with two equivalent O(2)Ca2Co3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the third O site, O(1) is bonded to one Co(2), two equivalent Co(3), and three equivalent Co(1) atoms to form OCo6 octahedra that share corners with two equivalent O(3)CaCo5 octahedra, corners with two equivalent O(1)Co6 octahedra,  a cornercorner with one O(2)Ca2Co3 square pyramid,  a cornercorner with one O(4)Ca2Co2 tetrahedra, edges with five equivalent O(3)CaCo5 octahedra, edges with five equivalent O(1)Co6 octahedra, and edges with two equivalent O(2)Ca2Co3 square pyramids. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(2) is bonded to two equivalent Ca(1), one Co(1), and two equivalent Co(2) atoms to form distorted OCa2Co3 square pyramids that share  a cornercorner with one O(1)Co6 octahedra, corners with four equivalent O(3)CaCo5 octahedra, corners with two equivalent O(2)Ca2Co3 square pyramids, corners with four equivalent O(4)Ca2Co2 tetrahedra, edges with two equivalent O(1)Co6 octahedra, edges with three equivalent O(3)CaCo5 octahedra, edges with three equivalent O(2)Ca2Co3 square pyramids, and  an edgeedge with one O(4)Ca2Co2 tetrahedra. The corner-sharing octahedral tilt angles range from 7-42°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCo5O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.285
_cell_length_b   5.285
_cell_length_c   17.553
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.580
_symmetry_Int_Tables_number   1
_cell_volume   270.021
_cell_formula_units_Z   2
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  0.196  0.804  0.750  1.0
  Ca  Ca1  1  0.804  0.196  0.250  1.0
  Co  Co2  1  0.719  0.281  0.573  1.0
  Co  Co3  1  0.553  0.447  0.150  1.0
  Co  Co4  1  0.000  0.000  0.500  1.0
  Co  Co5  1  0.000  0.000  0.000  1.0
  Co  Co6  1  0.447  0.553  0.850  1.0
  Co  Co7  1  0.281  0.719  0.427  1.0
  Co  Co8  1  0.281  0.719  0.073  1.0
  Co  Co9  1  0.719  0.281  0.927  1.0
  Co  Co10  1  0.447  0.553  0.650  1.0
  Co  Co11  1  0.553  0.447  0.350  1.0
  O  O12  1  0.364  0.636  0.962  1.0
  O  O13  1  0.636  0.364  0.038  1.0
  O  O14  1  0.636  0.364  0.462  1.0
  O  O15  1  0.364  0.636  0.538  1.0
  O  O16  1  0.820  0.180  0.829  1.0
  O  O17  1  0.180  0.820  0.171  1.0
  O  O18  1  0.180  0.820  0.329  1.0
  O  O19  1  0.820  0.180  0.671  1.0
  O  O20  1  0.078  0.922  0.890  1.0
  O  O21  1  0.922  0.078  0.110  1.0
  O  O22  1  0.922  0.078  0.390  1.0
  O  O23  1  0.078  0.922  0.610  1.0
  O  O24  1  0.520  0.480  0.750  1.0
  O  O25  1  0.480  0.520  0.250  1.0
[/CIF]
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The structure described by CaCo5O7 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Co site, Co(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. In the third Co site, Co(3) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Ca(1), one Co(3), two equivalent Co(1), and two equivalent Co(2) atoms to form distorted OCaCo5 octahedra that share corners with two equivalent O(3)CaCo5 octahedra, corners with two equivalent O(1)Co6 octahedra, corners with four equivalent O(2)Ca2Co3 square pyramids, edges with two equivalent O(3)CaCo5 octahedra, edges with five equivalent O(1)Co6 octahedra, edges with three equivalent O(2)Ca2Co3 square pyramids, and edges with two equivalent O(4)Ca2Co2 tetrahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the second O site, O(4) is bonded to two equivalent Ca(1) and two equivalent Co(2) atoms to form distorted OCa2Co2 tetrahedra that share corners with two equivalent O(1)Co6 octahedra, corners with eight equivalent O(2)Ca2Co3 square pyramids, corners with two equivalent O(4)Ca2Co2 tetrahedra, edges with four equivalent O(3)CaCo5 octahedra, and edges with two equivalent O(2)Ca2Co3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the third O site, O(1) is bonded to one Co(2), two equivalent Co(3), and three equivalent Co(1) atoms to form OCo6 octahedra that share corners with two equivalent O(3)CaCo5 octahedra, corners with two equivalent O(1)Co6 octahedra,  a cornercorner with one O(2)Ca2Co3 square pyramid,  a cornercorner with one O(4)Ca2Co2 tetrahedra, edges with five equivalent O(3)CaCo5 octahedra, edges with five equivalent O(1)Co6 octahedra, and edges with two equivalent O(2)Ca2Co3 square pyramids. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(2) is bonded to two equivalent Ca(1), one Co(1), and two equivalent Co(2) atoms to form distorted OCa2Co3 square pyramids that share  a cornercorner with one O(1)Co6 octahedra, corners with four equivalent O(3)CaCo5 octahedra, corners with two equivalent O(2)Ca2Co3 square pyramids, corners with four equivalent O(4)Ca2Co2 tetrahedra, edges with two equivalent O(1)Co6 octahedra, edges with three equivalent O(3)CaCo5 octahedra, edges with three equivalent O(2)Ca2Co3 square pyramids, and  an edgeedge with one O(4)Ca2Co2 tetrahedra. The corner-sharing octahedral tilt angles range from 7-42°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCo5O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.285
_cell_length_b   5.285
_cell_length_c   17.553
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.580
_symmetry_Int_Tables_number   1
_cell_volume   270.021
_cell_formula_units_Z   2
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  0.196  0.804  0.750  1.0
  Ca  Ca1  1  0.804  0.196  0.250  1.0
  Co  Co2  1  0.719  0.281  0.573  1.0
  Co  Co3  1  0.553  0.447  0.150  1.0
  Co  Co4  1  0.000  0.000  0.500  1.0
  Co  Co5  1  0.000  0.000  0.000  1.0
  Co  Co6  1  0.447  0.553  0.850  1.0
  Co  Co7  1  0.281  0.719  0.427  1.0
  Co  Co8  1  0.281  0.719  0.073  1.0
  Co  Co9  1  0.719  0.281  0.927  1.0
  Co  Co10  1  0.447  0.553  0.650  1.0
  Co  Co11  1  0.553  0.447  0.350  1.0
  O  O12  1  0.364  0.636  0.962  1.0
  O  O13  1  0.636  0.364  0.038  1.0
  O  O14  1  0.636  0.364  0.462  1.0
  O  O15  1  0.364  0.636  0.538  1.0
  O  O16  1  0.820  0.180  0.829  1.0
  O  O17  1  0.180  0.820  0.171  1.0
  O  O18  1  0.180  0.820  0.329  1.0
  O  O19  1  0.820  0.180  0.671  1.0
  O  O20  1  0.078  0.922  0.890  1.0
  O  O21  1  0.922  0.078  0.110  1.0
  O  O22  1  0.922  0.078  0.390  1.0
  O  O23  1  0.078  0.922  0.610  1.0
  O  O24  1  0.520  0.480  0.750  1.0
  O  O25  1  0.480  0.520  0.250  1.0
[/CIF]
.