The structure described by Mn3FeO8 is trigonal omega-derived structured and crystallizes in the monoclinic C2 space group. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(15), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form MnO6 octahedra that share  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(10), one O(16), one O(2), one O(3), one O(5), and one O(7) atom to form MnO6 octahedra that share  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(12), one O(13), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(10), one O(11), one O(12), one O(14), and one O(7) atom to form MnO6 octahedra that share  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. In the sixth Mn site, Mn(6) is bonded to two equivalent O(12), two equivalent O(13), and two equivalent O(14) atoms to form MnO6 octahedra that share edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. In the seventh Mn site, Mn(7) is bonded to two equivalent O(15), two equivalent O(16), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(7) atoms to form FeO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(4), two equivalent O(8), and two equivalent O(9) atoms to form FeO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(11), one O(13), one O(14), one O(15), one O(16), and one O(5) atom to form FeO6 octahedra that share  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one Mn(7)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(5), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(7) 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 Fe(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(5), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(4), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(4), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mn(4), one Mn(5), and one Fe(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(6), and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Mn(5), one Mn(6), and one Fe(3) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(7), and one Fe(3) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(7), and one Fe(3) atom. is represented by the CIF card [CIF]
data_Mn3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.305
_cell_length_b   8.305
_cell_length_c   8.312
_cell_angle_alpha   89.957
_cell_angle_beta   89.957
_cell_angle_gamma   90.086
_symmetry_Int_Tables_number   1
_cell_volume   573.236
_cell_formula_units_Z   4
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  0.128  0.125  0.753  1.0
  Mn  Mn1  1  0.125  0.376  0.997  1.0
  Mn  Mn2  1  0.124  0.627  0.247  1.0
  Mn  Mn3  1  0.878  0.377  0.749  1.0
  Mn  Mn4  1  0.873  0.623  0.499  1.0
  Mn  Mn5  1  0.875  0.872  0.247  1.0
  Mn  Mn6  1  0.626  0.374  0.500  1.0
  Mn  Mn7  1  0.623  0.122  0.251  1.0
  Mn  Mn8  1  0.624  0.875  0.003  1.0
  Mn  Mn9  1  0.377  0.127  0.501  1.0
  Mn  Mn10  1  0.373  0.876  0.753  1.0
  Mn  Mn11  1  0.372  0.628  0.000  1.0
  Fe  Fe12  1  0.125  0.875  0.500  1.0
  Fe  Fe13  1  0.876  0.124  0.000  1.0
  Fe  Fe14  1  0.624  0.626  0.752  1.0
  Fe  Fe15  1  0.374  0.376  0.248  1.0
  O  O16  1  0.141  0.106  0.517  1.0
  O  O17  1  0.143  0.893  0.745  1.0
  O  O18  1  0.139  0.611  0.015  1.0
  O  O19  1  0.117  0.144  0.984  1.0
  O  O20  1  0.144  0.390  0.234  1.0
  O  O21  1  0.110  0.361  0.764  1.0
  O  O22  1  0.110  0.644  0.483  1.0
  O  O23  1  0.107  0.857  0.255  1.0
  O  O24  1  0.892  0.140  0.770  1.0
  O  O25  1  0.894  0.366  0.982  1.0
  O  O26  1  0.890  0.638  0.265  1.0
  O  O27  1  0.867  0.608  0.730  1.0
  O  O28  1  0.894  0.859  0.483  1.0
  O  O29  1  0.860  0.388  0.514  1.0
  O  O30  1  0.860  0.108  0.230  1.0
  O  O31  1  0.856  0.883  0.016  1.0
  O  O32  1  0.642  0.393  0.734  1.0
  O  O33  1  0.643  0.607  0.509  1.0
  O  O34  1  0.639  0.890  0.236  1.0
  O  O35  1  0.607  0.358  0.266  1.0
  O  O36  1  0.634  0.106  0.018  1.0
  O  O37  1  0.612  0.140  0.486  1.0
  O  O38  1  0.610  0.856  0.766  1.0
  O  O39  1  0.605  0.642  0.992  1.0
  O  O40  1  0.393  0.357  0.491  1.0
  O  O41  1  0.392  0.133  0.270  1.0
  O  O42  1  0.389  0.861  0.985  1.0
  O  O43  1  0.356  0.890  0.517  1.0
  O  O44  1  0.383  0.643  0.769  1.0
  O  O45  1  0.362  0.110  0.735  1.0
  O  O46  1  0.358  0.395  0.008  1.0
  O  O47  1  0.357  0.617  0.231  1.0
[/CIF]
.
The structure described by Mn3FeO8 is trigonal omega-derived structured and crystallizes in the monoclinic C2 space group. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(15), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form MnO6 octahedra that share  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(10), one O(16), one O(2), one O(3), one O(5), and one O(7) atom to form MnO6 octahedra that share  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(12), one O(13), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(10), one O(11), one O(12), one O(14), and one O(7) atom to form MnO6 octahedra that share  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. In the sixth Mn site, Mn(6) is bonded to two equivalent O(12), two equivalent O(13), and two equivalent O(14) atoms to form MnO6 octahedra that share edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. In the seventh Mn site, Mn(7) is bonded to two equivalent O(15), two equivalent O(16), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(7) atoms to form FeO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(4), two equivalent O(8), and two equivalent O(9) atoms to form FeO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(11), one O(13), one O(14), one O(15), one O(16), and one O(5) atom to form FeO6 octahedra that share  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one Mn(7)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(5), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(7) 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 Fe(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(5), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(4), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(4), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mn(4), one Mn(5), and one Fe(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(6), and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Mn(5), one Mn(6), and one Fe(3) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(7), and one Fe(3) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(7), and one Fe(3) atom. is represented by the CIF card [CIF]
data_Mn3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.305
_cell_length_b   8.305
_cell_length_c   8.312
_cell_angle_alpha   89.957
_cell_angle_beta   89.957
_cell_angle_gamma   90.086
_symmetry_Int_Tables_number   1
_cell_volume   573.236
_cell_formula_units_Z   4
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  0.128  0.125  0.753  1.0
  Mn  Mn1  1  0.125  0.376  0.997  1.0
  Mn  Mn2  1  0.124  0.627  0.247  1.0
  Mn  Mn3  1  0.878  0.377  0.749  1.0
  Mn  Mn4  1  0.873  0.623  0.499  1.0
  Mn  Mn5  1  0.875  0.872  0.247  1.0
  Mn  Mn6  1  0.626  0.374  0.500  1.0
  Mn  Mn7  1  0.623  0.122  0.251  1.0
  Mn  Mn8  1  0.624  0.875  0.003  1.0
  Mn  Mn9  1  0.377  0.127  0.501  1.0
  Mn  Mn10  1  0.373  0.876  0.753  1.0
  Mn  Mn11  1  0.372  0.628  0.000  1.0
  Fe  Fe12  1  0.125  0.875  0.500  1.0
  Fe  Fe13  1  0.876  0.124  0.000  1.0
  Fe  Fe14  1  0.624  0.626  0.752  1.0
  Fe  Fe15  1  0.374  0.376  0.248  1.0
  O  O16  1  0.141  0.106  0.517  1.0
  O  O17  1  0.143  0.893  0.745  1.0
  O  O18  1  0.139  0.611  0.015  1.0
  O  O19  1  0.117  0.144  0.984  1.0
  O  O20  1  0.144  0.390  0.234  1.0
  O  O21  1  0.110  0.361  0.764  1.0
  O  O22  1  0.110  0.644  0.483  1.0
  O  O23  1  0.107  0.857  0.255  1.0
  O  O24  1  0.892  0.140  0.770  1.0
  O  O25  1  0.894  0.366  0.982  1.0
  O  O26  1  0.890  0.638  0.265  1.0
  O  O27  1  0.867  0.608  0.730  1.0
  O  O28  1  0.894  0.859  0.483  1.0
  O  O29  1  0.860  0.388  0.514  1.0
  O  O30  1  0.860  0.108  0.230  1.0
  O  O31  1  0.856  0.883  0.016  1.0
  O  O32  1  0.642  0.393  0.734  1.0
  O  O33  1  0.643  0.607  0.509  1.0
  O  O34  1  0.639  0.890  0.236  1.0
  O  O35  1  0.607  0.358  0.266  1.0
  O  O36  1  0.634  0.106  0.018  1.0
  O  O37  1  0.612  0.140  0.486  1.0
  O  O38  1  0.610  0.856  0.766  1.0
  O  O39  1  0.605  0.642  0.992  1.0
  O  O40  1  0.393  0.357  0.491  1.0
  O  O41  1  0.392  0.133  0.270  1.0
  O  O42  1  0.389  0.861  0.985  1.0
  O  O43  1  0.356  0.890  0.517  1.0
  O  O44  1  0.383  0.643  0.769  1.0
  O  O45  1  0.362  0.110  0.735  1.0
  O  O46  1  0.358  0.395  0.008  1.0
  O  O47  1  0.357  0.617  0.231  1.0
[/CIF]
.