The crystal structure described by Mn3Fe3(CoO8)2 is Rutile-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Fe site, Fe(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Co site, Co(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Fe(2), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe(1) and one Co(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(2) and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mn(1), one Fe(1), and one Co(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one Co(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Mn(2) and one Co(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Fe(2), and one Co(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to two equivalent Mn(2) and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mn(1), one Fe(1), and one Co(2) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to two equivalent Mn(2) and one Co(2) atom. is represented by the CIF file [CIF]
data_Mn3Fe3(CoO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.897
_cell_length_b   5.897
_cell_length_c   8.676
_cell_angle_alpha   88.911
_cell_angle_beta   88.911
_cell_angle_gamma   59.571
_symmetry_Int_Tables_number   1
_cell_volume   260.061
_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
  Mn  Mn0  1  0.830  0.830  0.208  1.0
  Mn  Mn1  1  0.661  0.168  0.711  1.0
  Mn  Mn2  1  0.168  0.661  0.711  1.0
  Fe  Fe3  1  0.832  0.332  0.205  1.0
  Fe  Fe4  1  0.332  0.832  0.205  1.0
  Fe  Fe5  1  0.166  0.166  0.708  1.0
  Co  Co6  1  0.668  0.668  0.489  1.0
  Co  Co7  1  0.333  0.333  0.988  1.0
  O  O8  1  0.825  0.347  0.600  1.0
  O  O9  1  0.527  0.527  0.349  1.0
  O  O10  1  0.671  0.671  0.094  1.0
  O  O11  1  0.994  0.994  0.311  1.0
  O  O12  1  0.995  0.995  0.815  1.0
  O  O13  1  0.347  0.825  0.600  1.0
  O  O14  1  0.952  0.533  0.346  1.0
  O  O15  1  0.533  0.952  0.346  1.0
  O  O16  1  0.174  0.174  0.100  1.0
  O  O17  1  0.831  0.831  0.602  1.0
  O  O18  1  0.481  0.049  0.846  1.0
  O  O19  1  0.049  0.481  0.846  1.0
  O  O20  1  0.339  0.339  0.598  1.0
  O  O21  1  0.653  0.169  0.099  1.0
  O  O22  1  0.477  0.477  0.840  1.0
  O  O23  1  0.169  0.653  0.099  1.0
[/CIF]
.
The crystal structure described by Mn3Fe3(CoO8)2 is Rutile-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Fe site, Fe(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Co site, Co(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Fe(2), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe(1) and one Co(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(2) and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mn(1), one Fe(1), and one Co(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one Co(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Mn(2) and one Co(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Fe(2), and one Co(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to two equivalent Mn(2) and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mn(1), one Fe(1), and one Co(2) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to two equivalent Mn(2) and one Co(2) atom. is represented by the CIF file [CIF]
data_Mn3Fe3(CoO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.897
_cell_length_b   5.897
_cell_length_c   8.676
_cell_angle_alpha   88.911
_cell_angle_beta   88.911
_cell_angle_gamma   59.571
_symmetry_Int_Tables_number   1
_cell_volume   260.061
_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
  Mn  Mn0  1  0.830  0.830  0.208  1.0
  Mn  Mn1  1  0.661  0.168  0.711  1.0
  Mn  Mn2  1  0.168  0.661  0.711  1.0
  Fe  Fe3  1  0.832  0.332  0.205  1.0
  Fe  Fe4  1  0.332  0.832  0.205  1.0
  Fe  Fe5  1  0.166  0.166  0.708  1.0
  Co  Co6  1  0.668  0.668  0.489  1.0
  Co  Co7  1  0.333  0.333  0.988  1.0
  O  O8  1  0.825  0.347  0.600  1.0
  O  O9  1  0.527  0.527  0.349  1.0
  O  O10  1  0.671  0.671  0.094  1.0
  O  O11  1  0.994  0.994  0.311  1.0
  O  O12  1  0.995  0.995  0.815  1.0
  O  O13  1  0.347  0.825  0.600  1.0
  O  O14  1  0.952  0.533  0.346  1.0
  O  O15  1  0.533  0.952  0.346  1.0
  O  O16  1  0.174  0.174  0.100  1.0
  O  O17  1  0.831  0.831  0.602  1.0
  O  O18  1  0.481  0.049  0.846  1.0
  O  O19  1  0.049  0.481  0.846  1.0
  O  O20  1  0.339  0.339  0.598  1.0
  O  O21  1  0.653  0.169  0.099  1.0
  O  O22  1  0.477  0.477  0.840  1.0
  O  O23  1  0.169  0.653  0.099  1.0
[/CIF]
.