The material described by MgMn4FeO8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(6), and two equivalent O(2) atoms to form distorted MgO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-74°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(5) atoms. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)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. Fe(1) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(3) and one Fe(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Mn(2), one Mn(3), and one Fe(1) atom to form OMgMn3Fe trigonal bipyramids that share  a cornercorner with one O(6)MgMn2Fe tetrahedra,  an edgeedge with one O(6)MgMn2Fe tetrahedra, and edges with two equivalent O(2)MgMn3Fe trigonal bipyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Mn(3) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one Fe(1) atom. In the sixth O site, O(6) is bonded to one Mg(1), two equivalent Mn(3), and one Fe(1) atom to form a mixture of corner and edge-sharing OMgMn2Fe tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn4FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.173
_cell_length_b   6.169
_cell_length_c   6.279
_cell_angle_alpha   84.229
_cell_angle_beta   57.970
_cell_angle_gamma   55.745
_symmetry_Int_Tables_number   1
_cell_volume   160.718
_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
  Mg  Mg0  1  0.282  0.839  0.559  1.0
  Mn  Mn1  1  0.994  0.494  0.501  1.0
  Mn  Mn2  1  0.958  0.039  0.082  1.0
  Mn  Mn3  1  0.516  0.002  0.983  1.0
  Mn  Mn4  1  0.020  0.498  0.983  1.0
  Fe  Fe5  1  0.497  0.494  0.998  1.0
  O  O6  1  0.476  0.283  0.808  1.0
  O  O7  1  0.975  0.240  0.783  1.0
  O  O8  1  0.459  0.757  0.782  1.0
  O  O9  1  0.986  0.734  0.749  1.0
  O  O10  1  0.044  0.260  0.218  1.0
  O  O11  1  0.505  0.253  0.228  1.0
  O  O12  1  0.026  0.732  0.228  1.0
  O  O13  1  0.545  0.717  0.174  1.0
[/CIF]
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The material described by MgMn4FeO8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(6), and two equivalent O(2) atoms to form distorted MgO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-74°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(5) atoms. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)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. Fe(1) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(3) and one Fe(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Mn(2), one Mn(3), and one Fe(1) atom to form OMgMn3Fe trigonal bipyramids that share  a cornercorner with one O(6)MgMn2Fe tetrahedra,  an edgeedge with one O(6)MgMn2Fe tetrahedra, and edges with two equivalent O(2)MgMn3Fe trigonal bipyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Mn(3) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one Fe(1) atom. In the sixth O site, O(6) is bonded to one Mg(1), two equivalent Mn(3), and one Fe(1) atom to form a mixture of corner and edge-sharing OMgMn2Fe tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn4FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.173
_cell_length_b   6.169
_cell_length_c   6.279
_cell_angle_alpha   84.229
_cell_angle_beta   57.970
_cell_angle_gamma   55.745
_symmetry_Int_Tables_number   1
_cell_volume   160.718
_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
  Mg  Mg0  1  0.282  0.839  0.559  1.0
  Mn  Mn1  1  0.994  0.494  0.501  1.0
  Mn  Mn2  1  0.958  0.039  0.082  1.0
  Mn  Mn3  1  0.516  0.002  0.983  1.0
  Mn  Mn4  1  0.020  0.498  0.983  1.0
  Fe  Fe5  1  0.497  0.494  0.998  1.0
  O  O6  1  0.476  0.283  0.808  1.0
  O  O7  1  0.975  0.240  0.783  1.0
  O  O8  1  0.459  0.757  0.782  1.0
  O  O9  1  0.986  0.734  0.749  1.0
  O  O10  1  0.044  0.260  0.218  1.0
  O  O11  1  0.505  0.253  0.228  1.0
  O  O12  1  0.026  0.732  0.228  1.0
  O  O13  1  0.545  0.717  0.174  1.0
[/CIF]
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