The material structure described by Mn9(FeO6)4 crystallizes in the monoclinic Cm space group. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Fe(3)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Fe(3)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form edge-sharing MnO6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(7), two equivalent O(10), and two equivalent O(9) atoms to form edge-sharing MnO6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(12), one O(8), two equivalent O(10), and two equivalent O(9) atoms to form edge-sharing MnO6 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(15) atom to form MnO6 octahedra that share  a cornercorner with one Fe(3)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. In the seventh Mn site, Mn(7) is bonded to one O(13), one O(18), two equivalent O(15), and two equivalent O(16) atoms to form MnO6 octahedra that share corners with two equivalent Fe(3)O4 tetrahedra, edges with two equivalent Mn(6)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(16), one O(17), one O(18), one O(2), and one O(3) atom to form FeO6 octahedra that share corners with two equivalent Fe(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(14), one O(17), two equivalent O(15), and two equivalent O(16) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O4 tetrahedra, edges with two equivalent Mn(6)O6 octahedra, edges with two equivalent Mn(7)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), and two equivalent O(15) atoms to form FeO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Fe(3), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Fe(3), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mn(4) and two equivalent Mn(3) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(5) and two equivalent Mn(3) atoms. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mn(4) and two equivalent Mn(6) atoms. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(5) and two equivalent Mn(6) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Mn(7) and two equivalent Mn(6) atoms. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(6) and one Fe(2) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Mn(6), one Mn(7), one Fe(2), and one Fe(3) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Mn(7), one Fe(1), and one Fe(2) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(1) atoms. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Mn(7) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Mn9(FeO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.144
_cell_length_b   13.144
_cell_length_c   5.897
_cell_angle_alpha   77.287
_cell_angle_beta   77.287
_cell_angle_gamma   25.987
_symmetry_Int_Tables_number   1
_cell_volume   434.823
_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  0.666  0.666  0.335  1.0
  Mn  Mn1  1  0.666  0.666  0.834  1.0
  Mn  Mn2  1  0.332  0.837  0.166  1.0
  Mn  Mn3  1  0.837  0.332  0.166  1.0
  Mn  Mn4  1  0.001  0.001  0.001  1.0
  Mn  Mn5  1  0.001  0.001  0.499  1.0
  Mn  Mn6  1  0.169  0.669  0.830  1.0
  Mn  Mn7  1  0.669  0.169  0.830  1.0
  Mn  Mn8  1  0.334  0.334  0.655  1.0
  Fe  Fe9  1  0.488  0.013  0.499  1.0
  Fe  Fe10  1  0.013  0.488  0.499  1.0
  Fe  Fe11  1  0.334  0.334  0.177  1.0
  Fe  Fe12  1  0.792  0.792  0.955  1.0
  O  O13  1  0.746  0.746  0.261  1.0
  O  O14  1  0.746  0.746  0.746  1.0
  O  O15  1  0.459  0.883  0.581  1.0
  O  O16  1  0.883  0.459  0.581  1.0
  O  O17  1  0.441  0.881  0.090  1.0
  O  O18  1  0.881  0.441  0.090  1.0
  O  O19  1  0.589  0.589  0.378  1.0
  O  O20  1  0.589  0.589  0.944  1.0
  O  O21  1  0.078  0.078  0.955  1.0
  O  O22  1  0.079  0.079  0.388  1.0
  O  O23  1  0.790  0.223  0.245  1.0
  O  O24  1  0.223  0.790  0.245  1.0
  O  O25  1  0.212  0.779  0.755  1.0
  O  O26  1  0.779  0.212  0.755  1.0
  O  O27  1  0.923  0.923  0.044  1.0
  O  O28  1  0.924  0.924  0.610  1.0
  O  O29  1  0.412  0.412  0.625  1.0
  O  O30  1  0.414  0.414  0.043  1.0
  O  O31  1  0.576  0.101  0.904  1.0
  O  O32  1  0.101  0.576  0.904  1.0
  O  O33  1  0.108  0.557  0.434  1.0
  O  O34  1  0.557  0.108  0.434  1.0
  O  O35  1  0.255  0.255  0.265  1.0
  O  O36  1  0.259  0.259  0.728  1.0
[/CIF]
.
The material structure described by Mn9(FeO6)4 crystallizes in the monoclinic Cm space group. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Fe(3)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Fe(3)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form edge-sharing MnO6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(7), two equivalent O(10), and two equivalent O(9) atoms to form edge-sharing MnO6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(12), one O(8), two equivalent O(10), and two equivalent O(9) atoms to form edge-sharing MnO6 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(15) atom to form MnO6 octahedra that share  a cornercorner with one Fe(3)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. In the seventh Mn site, Mn(7) is bonded to one O(13), one O(18), two equivalent O(15), and two equivalent O(16) atoms to form MnO6 octahedra that share corners with two equivalent Fe(3)O4 tetrahedra, edges with two equivalent Mn(6)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(16), one O(17), one O(18), one O(2), and one O(3) atom to form FeO6 octahedra that share corners with two equivalent Fe(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(14), one O(17), two equivalent O(15), and two equivalent O(16) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O4 tetrahedra, edges with two equivalent Mn(6)O6 octahedra, edges with two equivalent Mn(7)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), and two equivalent O(15) atoms to form FeO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Fe(3), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Fe(3), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mn(4) and two equivalent Mn(3) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(5) and two equivalent Mn(3) atoms. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mn(4) and two equivalent Mn(6) atoms. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(5) and two equivalent Mn(6) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Mn(7) and two equivalent Mn(6) atoms. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(6) and one Fe(2) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Mn(6), one Mn(7), one Fe(2), and one Fe(3) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Mn(7), one Fe(1), and one Fe(2) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(1) atoms. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Mn(7) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Mn9(FeO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.144
_cell_length_b   13.144
_cell_length_c   5.897
_cell_angle_alpha   77.287
_cell_angle_beta   77.287
_cell_angle_gamma   25.987
_symmetry_Int_Tables_number   1
_cell_volume   434.823
_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  0.666  0.666  0.335  1.0
  Mn  Mn1  1  0.666  0.666  0.834  1.0
  Mn  Mn2  1  0.332  0.837  0.166  1.0
  Mn  Mn3  1  0.837  0.332  0.166  1.0
  Mn  Mn4  1  0.001  0.001  0.001  1.0
  Mn  Mn5  1  0.001  0.001  0.499  1.0
  Mn  Mn6  1  0.169  0.669  0.830  1.0
  Mn  Mn7  1  0.669  0.169  0.830  1.0
  Mn  Mn8  1  0.334  0.334  0.655  1.0
  Fe  Fe9  1  0.488  0.013  0.499  1.0
  Fe  Fe10  1  0.013  0.488  0.499  1.0
  Fe  Fe11  1  0.334  0.334  0.177  1.0
  Fe  Fe12  1  0.792  0.792  0.955  1.0
  O  O13  1  0.746  0.746  0.261  1.0
  O  O14  1  0.746  0.746  0.746  1.0
  O  O15  1  0.459  0.883  0.581  1.0
  O  O16  1  0.883  0.459  0.581  1.0
  O  O17  1  0.441  0.881  0.090  1.0
  O  O18  1  0.881  0.441  0.090  1.0
  O  O19  1  0.589  0.589  0.378  1.0
  O  O20  1  0.589  0.589  0.944  1.0
  O  O21  1  0.078  0.078  0.955  1.0
  O  O22  1  0.079  0.079  0.388  1.0
  O  O23  1  0.790  0.223  0.245  1.0
  O  O24  1  0.223  0.790  0.245  1.0
  O  O25  1  0.212  0.779  0.755  1.0
  O  O26  1  0.779  0.212  0.755  1.0
  O  O27  1  0.923  0.923  0.044  1.0
  O  O28  1  0.924  0.924  0.610  1.0
  O  O29  1  0.412  0.412  0.625  1.0
  O  O30  1  0.414  0.414  0.043  1.0
  O  O31  1  0.576  0.101  0.904  1.0
  O  O32  1  0.101  0.576  0.904  1.0
  O  O33  1  0.108  0.557  0.434  1.0
  O  O34  1  0.557  0.108  0.434  1.0
  O  O35  1  0.255  0.255  0.265  1.0
  O  O36  1  0.259  0.259  0.728  1.0
[/CIF]
.