The structure described by Ca6Fe(CoO4)3 crystallizes in the monoclinic C2 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. Fe(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted FeO6 pentagonal pyramids that share faces with two equivalent Co(1)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share  a faceface with one Fe(1)O6 pentagonal pyramid and  a faceface with one Co(2)O6 pentagonal pyramid. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted face-sharing CoO6 pentagonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share  a cornercorner with one O(1)Ca4Co2 octahedra,  a cornercorner with one O(6)Ca4FeCo octahedra, corners with two equivalent O(3)Ca4Co2 octahedra, corners with three equivalent O(4)Ca4FeCo octahedra, corners with three equivalent O(5)Ca4FeCo octahedra, corners with five equivalent O(2)Ca4Co2 octahedra,  an edgeedge with one O(1)Ca4Co2 octahedra, edges with three equivalent O(6)Ca4FeCo octahedra,  a faceface with one O(2)Ca4Co2 octahedra,  a faceface with one O(4)Ca4FeCo octahedra,  a faceface with one O(5)Ca4FeCo octahedra, and faces with two equivalent O(3)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded to one Ca(3), one Ca(4), two equivalent Ca(2), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share  a cornercorner with one O(2)Ca4Co2 octahedra,  a cornercorner with one O(4)Ca4FeCo octahedra, corners with two equivalent O(3)Ca4Co2 octahedra, corners with three equivalent O(5)Ca4FeCo octahedra, corners with three equivalent O(6)Ca4FeCo octahedra, corners with five equivalent O(1)Ca4Co2 octahedra,  an edgeedge with one O(3)Ca4Co2 octahedra,  an edgeedge with one O(5)Ca4FeCo octahedra, edges with two equivalent O(4)Ca4FeCo octahedra,  a faceface with one O(1)Ca4Co2 octahedra,  a faceface with one O(2)Ca4Co2 octahedra,  a faceface with one O(3)Ca4Co2 octahedra,  a faceface with one O(4)Ca4FeCo octahedra, and  a faceface with one O(6)Ca4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the third O site, O(3) is bonded to one Ca(1), one Ca(2), two equivalent Ca(3), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share  a cornercorner with one O(5)Ca4FeCo octahedra, corners with two equivalent O(1)Ca4Co2 octahedra, corners with two equivalent O(2)Ca4Co2 octahedra, corners with three equivalent O(4)Ca4FeCo octahedra, corners with three equivalent O(6)Ca4FeCo octahedra, corners with four equivalent O(3)Ca4Co2 octahedra,  an edgeedge with one O(2)Ca4Co2 octahedra,  an edgeedge with one O(4)Ca4FeCo octahedra, edges with two equivalent O(5)Ca4FeCo octahedra,  a faceface with one O(2)Ca4Co2 octahedra,  a faceface with one O(5)Ca4FeCo octahedra,  a faceface with one O(6)Ca4FeCo octahedra, and faces with two equivalent O(1)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the fourth O site, O(4) is bonded to one Ca(3), one Ca(4), two equivalent Ca(2), one Fe(1), and one Co(1) atom to form distorted OCa4FeCo octahedra that share  a cornercorner with one O(2)Ca4Co2 octahedra, corners with two equivalent O(5)Ca4FeCo octahedra, corners with two equivalent O(6)Ca4FeCo octahedra, corners with three equivalent O(1)Ca4Co2 octahedra, corners with three equivalent O(3)Ca4Co2 octahedra, corners with four equivalent O(4)Ca4FeCo octahedra,  an edgeedge with one O(3)Ca4Co2 octahedra,  an edgeedge with one O(5)Ca4FeCo octahedra, edges with two equivalent O(2)Ca4Co2 octahedra,  a faceface with one O(1)Ca4Co2 octahedra,  a faceface with one O(2)Ca4Co2 octahedra,  a faceface with one O(5)Ca4FeCo octahedra, and faces with two equivalent O(6)Ca4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), two equivalent Ca(3), one Fe(1), and one Co(1) atom to form distorted OCa4FeCo octahedra that share  a cornercorner with one O(3)Ca4Co2 octahedra,  a cornercorner with one O(5)Ca4FeCo octahedra, corners with two equivalent O(4)Ca4FeCo octahedra, corners with three equivalent O(1)Ca4Co2 octahedra, corners with three equivalent O(2)Ca4Co2 octahedra, corners with five equivalent O(6)Ca4FeCo octahedra,  an edgeedge with one O(2)Ca4Co2 octahedra,  an edgeedge with one O(4)Ca4FeCo octahedra, edges with two equivalent O(3)Ca4Co2 octahedra,  a faceface with one O(1)Ca4Co2 octahedra,  a faceface with one O(3)Ca4Co2 octahedra,  a faceface with one O(4)Ca4FeCo octahedra,  a faceface with one O(5)Ca4FeCo octahedra, and  a faceface with one O(6)Ca4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Fe(1), and one Co(1) atom to form distorted OCa4FeCo octahedra that share  a cornercorner with one O(1)Ca4Co2 octahedra,  a cornercorner with one O(6)Ca4FeCo octahedra, corners with two equivalent O(4)Ca4FeCo octahedra, corners with three equivalent O(2)Ca4Co2 octahedra, corners with three equivalent O(3)Ca4Co2 octahedra, corners with five equivalent O(5)Ca4FeCo octahedra,  an edgeedge with one O(6)Ca4FeCo octahedra, edges with three equivalent O(1)Ca4Co2 octahedra,  a faceface with one O(2)Ca4Co2 octahedra,  a faceface with one O(3)Ca4Co2 octahedra,  a faceface with one O(5)Ca4FeCo octahedra, and faces with two equivalent O(4)Ca4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the CIF card [CIF]
data_Ca6Fe(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.342
_cell_length_b   6.342
_cell_length_c   6.342
_cell_angle_alpha   92.490
_cell_angle_beta   92.490
_cell_angle_gamma   92.632
_symmetry_Int_Tables_number   1
_cell_volume   254.324
_cell_formula_units_Z   1
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  0.120  0.380  0.750  1.0
  Ca  Ca1  1  0.750  0.117  0.381  1.0
  Ca  Ca2  1  0.383  0.750  0.119  1.0
  Ca  Ca3  1  0.251  0.880  0.619  1.0
  Ca  Ca4  1  0.620  0.249  0.881  1.0
  Ca  Ca5  1  0.879  0.621  0.250  1.0
  Co  Co6  1  0.500  0.501  0.500  1.0
  Co  Co7  1  0.999  0.000  1.000  1.0
  Co  Co8  1  0.754  0.746  0.750  1.0
  Fe  Fe9  1  0.250  0.250  0.250  1.0
  O  O10  1  0.791  0.464  0.593  1.0
  O  O11  1  0.588  0.790  0.462  1.0
  O  O12  1  0.462  0.593  0.788  1.0
  O  O13  1  0.091  0.962  0.291  1.0
  O  O14  1  0.290  0.091  0.962  1.0
  O  O15  1  0.963  0.291  0.092  1.0
  O  O16  1  0.209  0.537  0.408  1.0
  O  O17  1  0.409  0.210  0.538  1.0
  O  O18  1  0.538  0.409  0.209  1.0
  O  O19  1  0.907  0.038  0.712  1.0
  O  O20  1  0.710  0.912  0.038  1.0
  O  O21  1  0.036  0.709  0.907  1.0
[/CIF]
.
The structure described by Ca6Fe(CoO4)3 crystallizes in the monoclinic C2 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. Fe(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted FeO6 pentagonal pyramids that share faces with two equivalent Co(1)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share  a faceface with one Fe(1)O6 pentagonal pyramid and  a faceface with one Co(2)O6 pentagonal pyramid. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted face-sharing CoO6 pentagonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share  a cornercorner with one O(1)Ca4Co2 octahedra,  a cornercorner with one O(6)Ca4FeCo octahedra, corners with two equivalent O(3)Ca4Co2 octahedra, corners with three equivalent O(4)Ca4FeCo octahedra, corners with three equivalent O(5)Ca4FeCo octahedra, corners with five equivalent O(2)Ca4Co2 octahedra,  an edgeedge with one O(1)Ca4Co2 octahedra, edges with three equivalent O(6)Ca4FeCo octahedra,  a faceface with one O(2)Ca4Co2 octahedra,  a faceface with one O(4)Ca4FeCo octahedra,  a faceface with one O(5)Ca4FeCo octahedra, and faces with two equivalent O(3)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded to one Ca(3), one Ca(4), two equivalent Ca(2), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share  a cornercorner with one O(2)Ca4Co2 octahedra,  a cornercorner with one O(4)Ca4FeCo octahedra, corners with two equivalent O(3)Ca4Co2 octahedra, corners with three equivalent O(5)Ca4FeCo octahedra, corners with three equivalent O(6)Ca4FeCo octahedra, corners with five equivalent O(1)Ca4Co2 octahedra,  an edgeedge with one O(3)Ca4Co2 octahedra,  an edgeedge with one O(5)Ca4FeCo octahedra, edges with two equivalent O(4)Ca4FeCo octahedra,  a faceface with one O(1)Ca4Co2 octahedra,  a faceface with one O(2)Ca4Co2 octahedra,  a faceface with one O(3)Ca4Co2 octahedra,  a faceface with one O(4)Ca4FeCo octahedra, and  a faceface with one O(6)Ca4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the third O site, O(3) is bonded to one Ca(1), one Ca(2), two equivalent Ca(3), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share  a cornercorner with one O(5)Ca4FeCo octahedra, corners with two equivalent O(1)Ca4Co2 octahedra, corners with two equivalent O(2)Ca4Co2 octahedra, corners with three equivalent O(4)Ca4FeCo octahedra, corners with three equivalent O(6)Ca4FeCo octahedra, corners with four equivalent O(3)Ca4Co2 octahedra,  an edgeedge with one O(2)Ca4Co2 octahedra,  an edgeedge with one O(4)Ca4FeCo octahedra, edges with two equivalent O(5)Ca4FeCo octahedra,  a faceface with one O(2)Ca4Co2 octahedra,  a faceface with one O(5)Ca4FeCo octahedra,  a faceface with one O(6)Ca4FeCo octahedra, and faces with two equivalent O(1)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the fourth O site, O(4) is bonded to one Ca(3), one Ca(4), two equivalent Ca(2), one Fe(1), and one Co(1) atom to form distorted OCa4FeCo octahedra that share  a cornercorner with one O(2)Ca4Co2 octahedra, corners with two equivalent O(5)Ca4FeCo octahedra, corners with two equivalent O(6)Ca4FeCo octahedra, corners with three equivalent O(1)Ca4Co2 octahedra, corners with three equivalent O(3)Ca4Co2 octahedra, corners with four equivalent O(4)Ca4FeCo octahedra,  an edgeedge with one O(3)Ca4Co2 octahedra,  an edgeedge with one O(5)Ca4FeCo octahedra, edges with two equivalent O(2)Ca4Co2 octahedra,  a faceface with one O(1)Ca4Co2 octahedra,  a faceface with one O(2)Ca4Co2 octahedra,  a faceface with one O(5)Ca4FeCo octahedra, and faces with two equivalent O(6)Ca4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), two equivalent Ca(3), one Fe(1), and one Co(1) atom to form distorted OCa4FeCo octahedra that share  a cornercorner with one O(3)Ca4Co2 octahedra,  a cornercorner with one O(5)Ca4FeCo octahedra, corners with two equivalent O(4)Ca4FeCo octahedra, corners with three equivalent O(1)Ca4Co2 octahedra, corners with three equivalent O(2)Ca4Co2 octahedra, corners with five equivalent O(6)Ca4FeCo octahedra,  an edgeedge with one O(2)Ca4Co2 octahedra,  an edgeedge with one O(4)Ca4FeCo octahedra, edges with two equivalent O(3)Ca4Co2 octahedra,  a faceface with one O(1)Ca4Co2 octahedra,  a faceface with one O(3)Ca4Co2 octahedra,  a faceface with one O(4)Ca4FeCo octahedra,  a faceface with one O(5)Ca4FeCo octahedra, and  a faceface with one O(6)Ca4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Fe(1), and one Co(1) atom to form distorted OCa4FeCo octahedra that share  a cornercorner with one O(1)Ca4Co2 octahedra,  a cornercorner with one O(6)Ca4FeCo octahedra, corners with two equivalent O(4)Ca4FeCo octahedra, corners with three equivalent O(2)Ca4Co2 octahedra, corners with three equivalent O(3)Ca4Co2 octahedra, corners with five equivalent O(5)Ca4FeCo octahedra,  an edgeedge with one O(6)Ca4FeCo octahedra, edges with three equivalent O(1)Ca4Co2 octahedra,  a faceface with one O(2)Ca4Co2 octahedra,  a faceface with one O(3)Ca4Co2 octahedra,  a faceface with one O(5)Ca4FeCo octahedra, and faces with two equivalent O(4)Ca4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the CIF card [CIF]
data_Ca6Fe(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.342
_cell_length_b   6.342
_cell_length_c   6.342
_cell_angle_alpha   92.490
_cell_angle_beta   92.490
_cell_angle_gamma   92.632
_symmetry_Int_Tables_number   1
_cell_volume   254.324
_cell_formula_units_Z   1
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  0.120  0.380  0.750  1.0
  Ca  Ca1  1  0.750  0.117  0.381  1.0
  Ca  Ca2  1  0.383  0.750  0.119  1.0
  Ca  Ca3  1  0.251  0.880  0.619  1.0
  Ca  Ca4  1  0.620  0.249  0.881  1.0
  Ca  Ca5  1  0.879  0.621  0.250  1.0
  Co  Co6  1  0.500  0.501  0.500  1.0
  Co  Co7  1  0.999  0.000  1.000  1.0
  Co  Co8  1  0.754  0.746  0.750  1.0
  Fe  Fe9  1  0.250  0.250  0.250  1.0
  O  O10  1  0.791  0.464  0.593  1.0
  O  O11  1  0.588  0.790  0.462  1.0
  O  O12  1  0.462  0.593  0.788  1.0
  O  O13  1  0.091  0.962  0.291  1.0
  O  O14  1  0.290  0.091  0.962  1.0
  O  O15  1  0.963  0.291  0.092  1.0
  O  O16  1  0.209  0.537  0.408  1.0
  O  O17  1  0.409  0.210  0.538  1.0
  O  O18  1  0.538  0.409  0.209  1.0
  O  O19  1  0.907  0.038  0.712  1.0
  O  O20  1  0.710  0.912  0.038  1.0
  O  O21  1  0.036  0.709  0.907  1.0
[/CIF]
.