The compound described by Mn5FeO12 is trigonal omega-derived structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) 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(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(6) atoms 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 Fe(1)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms 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 Fe(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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(3)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), 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 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 T-shaped geometry to one Mn(2) 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(3) and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn5FeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.861
_cell_length_b   5.861
_cell_length_c   13.072
_cell_angle_alpha   77.551
_cell_angle_beta   77.551
_cell_angle_gamma   90.041
_symmetry_Int_Tables_number   1
_cell_volume   427.636
_cell_formula_units_Z   2
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  0.500  0.000  0.000  1.0
  Mn  Mn1  1  0.166  0.166  0.167  1.0
  Mn  Mn2  1  0.666  0.166  0.167  1.0
  Mn  Mn3  1  0.834  0.334  0.333  1.0
  Mn  Mn4  1  0.834  0.834  0.333  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  Mn  Mn6  1  0.166  0.666  0.667  1.0
  Mn  Mn7  1  0.166  0.166  0.667  1.0
  Mn  Mn8  1  0.834  0.834  0.833  1.0
  Mn  Mn9  1  0.334  0.834  0.833  1.0
  Fe  Fe10  1  0.500  0.500  0.000  1.0
  Fe  Fe11  1  0.500  0.500  0.500  1.0
  O  O12  1  0.271  0.236  0.012  1.0
  O  O13  1  0.716  0.238  0.011  1.0
  O  O14  1  0.420  0.386  0.160  1.0
  O  O15  1  0.422  0.954  0.156  1.0
  O  O16  1  0.911  0.380  0.177  1.0
  O  O17  1  0.911  0.943  0.177  1.0
  O  O18  1  0.057  0.089  0.323  1.0
  O  O19  1  0.620  0.089  0.323  1.0
  O  O20  1  0.614  0.580  0.340  1.0
  O  O21  1  0.046  0.578  0.344  1.0
  O  O22  1  0.764  0.729  0.488  1.0
  O  O23  1  0.762  0.284  0.489  1.0
  O  O24  1  0.238  0.716  0.511  1.0
  O  O25  1  0.236  0.271  0.512  1.0
  O  O26  1  0.954  0.422  0.656  1.0
  O  O27  1  0.386  0.420  0.660  1.0
  O  O28  1  0.943  0.911  0.677  1.0
  O  O29  1  0.380  0.911  0.677  1.0
  O  O30  1  0.089  0.057  0.823  1.0
  O  O31  1  0.089  0.620  0.823  1.0
  O  O32  1  0.580  0.614  0.840  1.0
  O  O33  1  0.578  0.046  0.844  1.0
  O  O34  1  0.729  0.764  0.988  1.0
  O  O35  1  0.284  0.762  0.989  1.0
[/CIF]
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The compound described by Mn5FeO12 is trigonal omega-derived structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) 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(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(6) atoms 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 Fe(1)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms 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 Fe(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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(3)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), 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 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 T-shaped geometry to one Mn(2) 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(3) and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn5FeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.861
_cell_length_b   5.861
_cell_length_c   13.072
_cell_angle_alpha   77.551
_cell_angle_beta   77.551
_cell_angle_gamma   90.041
_symmetry_Int_Tables_number   1
_cell_volume   427.636
_cell_formula_units_Z   2
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  0.500  0.000  0.000  1.0
  Mn  Mn1  1  0.166  0.166  0.167  1.0
  Mn  Mn2  1  0.666  0.166  0.167  1.0
  Mn  Mn3  1  0.834  0.334  0.333  1.0
  Mn  Mn4  1  0.834  0.834  0.333  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  Mn  Mn6  1  0.166  0.666  0.667  1.0
  Mn  Mn7  1  0.166  0.166  0.667  1.0
  Mn  Mn8  1  0.834  0.834  0.833  1.0
  Mn  Mn9  1  0.334  0.834  0.833  1.0
  Fe  Fe10  1  0.500  0.500  0.000  1.0
  Fe  Fe11  1  0.500  0.500  0.500  1.0
  O  O12  1  0.271  0.236  0.012  1.0
  O  O13  1  0.716  0.238  0.011  1.0
  O  O14  1  0.420  0.386  0.160  1.0
  O  O15  1  0.422  0.954  0.156  1.0
  O  O16  1  0.911  0.380  0.177  1.0
  O  O17  1  0.911  0.943  0.177  1.0
  O  O18  1  0.057  0.089  0.323  1.0
  O  O19  1  0.620  0.089  0.323  1.0
  O  O20  1  0.614  0.580  0.340  1.0
  O  O21  1  0.046  0.578  0.344  1.0
  O  O22  1  0.764  0.729  0.488  1.0
  O  O23  1  0.762  0.284  0.489  1.0
  O  O24  1  0.238  0.716  0.511  1.0
  O  O25  1  0.236  0.271  0.512  1.0
  O  O26  1  0.954  0.422  0.656  1.0
  O  O27  1  0.386  0.420  0.660  1.0
  O  O28  1  0.943  0.911  0.677  1.0
  O  O29  1  0.380  0.911  0.677  1.0
  O  O30  1  0.089  0.057  0.823  1.0
  O  O31  1  0.089  0.620  0.823  1.0
  O  O32  1  0.580  0.614  0.840  1.0
  O  O33  1  0.578  0.046  0.844  1.0
  O  O34  1  0.729  0.764  0.988  1.0
  O  O35  1  0.284  0.762  0.989  1.0
[/CIF]
.