The crystal structure described by CaFe3Co5O16 crystallizes in the triclinic P1 space group. Ca(1) is bonded to one O(10), one O(13), one O(2), one O(4), one O(6), and one O(7) atom to form distorted CaO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-53°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent Co(5)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form FeO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the third Fe site, Fe(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and  a faceface with one Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Co(5)O6 octahedra, corners with three equivalent Ca(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-50°. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and edges with two equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the third Co site, Co(3) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Co(5)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the fourth Co site, Co(4) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the fifth Co site, Co(5) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(2), one Co(2), and one Co(4) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Fe(1), one Co(1), and one Co(3) atom. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Ca(1), one Fe(1), one Co(1), and one Co(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Fe(3), and one Co(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Fe(3), one Co(2), and one Co(4) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ca(1), one Fe(1), one Co(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Fe(1), one Co(2), and one Co(3) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ca(1), one Fe(2), one Fe(3), and one Co(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Co(4), and one Co(5) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Fe(3), one Co(4), and one Co(5) atom. In the thirteenth O site, O(13) is bonded in a trigonal pyramidal geometry to one Ca(1), one Fe(2), one Fe(3), and one Co(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(1), one Co(1), and one Co(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Fe(3), and one Co(5) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Fe(1), one Co(3), and one Co(5) atom. is represented by the CIF file [CIF]
data_CaFe3Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.770
_cell_length_b   5.769
_cell_length_c   9.147
_cell_angle_alpha   87.499
_cell_angle_beta   93.826
_cell_angle_gamma   117.792
_symmetry_Int_Tables_number   1
_cell_volume   268.682
_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  0.801  0.205  0.436  1.0
  Fe  Fe1  1  0.657  0.814  0.189  1.0
  Fe  Fe2  1  0.845  0.673  0.718  1.0
  Fe  Fe3  1  0.846  0.169  0.751  1.0
  Co  Co4  1  0.164  0.834  0.188  1.0
  Co  Co5  1  0.340  0.668  0.487  1.0
  Co  Co6  1  0.180  0.344  0.202  1.0
  Co  Co7  1  0.342  0.165  0.717  1.0
  Co  Co8  1  0.662  0.334  0.988  1.0
  O  O9  1  0.192  0.846  0.609  1.0
  O  O10  1  0.059  0.541  0.315  1.0
  O  O11  1  0.304  0.648  0.089  1.0
  O  O12  1  0.013  0.010  0.297  1.0
  O  O13  1  0.038  0.993  0.826  1.0
  O  O14  1  0.168  0.336  0.610  1.0
  O  O15  1  0.456  0.933  0.319  1.0
  O  O16  1  0.467  0.491  0.333  1.0
  O  O17  1  0.323  0.160  0.096  1.0
  O  O18  1  0.675  0.846  0.606  1.0
  O  O19  1  0.508  0.460  0.842  1.0
  O  O20  1  0.519  0.046  0.857  1.0
  O  O21  1  0.664  0.337  0.620  1.0
  O  O22  1  0.830  0.662  0.089  1.0
  O  O23  1  0.954  0.483  0.867  1.0
  O  O24  1  0.826  0.180  0.100  1.0
[/CIF]
.
The crystal structure described by CaFe3Co5O16 crystallizes in the triclinic P1 space group. Ca(1) is bonded to one O(10), one O(13), one O(2), one O(4), one O(6), and one O(7) atom to form distorted CaO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-53°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent Co(5)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form FeO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the third Fe site, Fe(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and  a faceface with one Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Co(5)O6 octahedra, corners with three equivalent Ca(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-50°. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and edges with two equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the third Co site, Co(3) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Co(5)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the fourth Co site, Co(4) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the fifth Co site, Co(5) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(2), one Co(2), and one Co(4) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Fe(1), one Co(1), and one Co(3) atom. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Ca(1), one Fe(1), one Co(1), and one Co(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Fe(3), and one Co(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Fe(3), one Co(2), and one Co(4) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ca(1), one Fe(1), one Co(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Fe(1), one Co(2), and one Co(3) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ca(1), one Fe(2), one Fe(3), and one Co(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Co(4), and one Co(5) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Fe(3), one Co(4), and one Co(5) atom. In the thirteenth O site, O(13) is bonded in a trigonal pyramidal geometry to one Ca(1), one Fe(2), one Fe(3), and one Co(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(1), one Co(1), and one Co(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Fe(3), and one Co(5) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Fe(1), one Co(3), and one Co(5) atom. is represented by the CIF file [CIF]
data_CaFe3Co5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.770
_cell_length_b   5.769
_cell_length_c   9.147
_cell_angle_alpha   87.499
_cell_angle_beta   93.826
_cell_angle_gamma   117.792
_symmetry_Int_Tables_number   1
_cell_volume   268.682
_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  0.801  0.205  0.436  1.0
  Fe  Fe1  1  0.657  0.814  0.189  1.0
  Fe  Fe2  1  0.845  0.673  0.718  1.0
  Fe  Fe3  1  0.846  0.169  0.751  1.0
  Co  Co4  1  0.164  0.834  0.188  1.0
  Co  Co5  1  0.340  0.668  0.487  1.0
  Co  Co6  1  0.180  0.344  0.202  1.0
  Co  Co7  1  0.342  0.165  0.717  1.0
  Co  Co8  1  0.662  0.334  0.988  1.0
  O  O9  1  0.192  0.846  0.609  1.0
  O  O10  1  0.059  0.541  0.315  1.0
  O  O11  1  0.304  0.648  0.089  1.0
  O  O12  1  0.013  0.010  0.297  1.0
  O  O13  1  0.038  0.993  0.826  1.0
  O  O14  1  0.168  0.336  0.610  1.0
  O  O15  1  0.456  0.933  0.319  1.0
  O  O16  1  0.467  0.491  0.333  1.0
  O  O17  1  0.323  0.160  0.096  1.0
  O  O18  1  0.675  0.846  0.606  1.0
  O  O19  1  0.508  0.460  0.842  1.0
  O  O20  1  0.519  0.046  0.857  1.0
  O  O21  1  0.664  0.337  0.620  1.0
  O  O22  1  0.830  0.662  0.089  1.0
  O  O23  1  0.954  0.483  0.867  1.0
  O  O24  1  0.826  0.180  0.100  1.0
[/CIF]
.