The crystal structure described by Mn3Zn(FeO2)8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1) and three equivalent O(4) atoms to form MnO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with six equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second Mn site, Mn(2) is bonded to one O(6) and three equivalent O(7) atoms to form MnO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, and corners with six equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the third Mn site, Mn(3) is bonded to one O(5) and three equivalent O(8) atoms to form MnO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with six equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(4) and three equivalent O(7) atoms to form FeO6 octahedra that share corners with three equivalent Mn(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 tetrahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. In the second Fe site, Fe(2) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form FeO6 octahedra that share corners with three equivalent Mn(3)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Mn(1)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(6), two equivalent O(4), and two equivalent O(8) atoms to form FeO6 octahedra that share  a cornercorner with one Mn(2)O4 tetrahedra,  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with four equivalent Fe(4)O6 octahedra. Zn(1) is bonded to one O(2) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, and corners with six equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1) and three equivalent Fe(3) atoms to form distorted OMnFe3 trigonal pyramids that share corners with three equivalent O(4)MnFe3 trigonal pyramids, corners with three equivalent O(5)MnFe3 trigonal pyramids, corners with six equivalent O(7)MnFe3 trigonal pyramids, and edges with three equivalent O(3)ZnFe3 trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Fe(4) and one Zn(1) atom to form distorted OZnFe3 trigonal pyramids that share corners with three equivalent O(6)MnFe3 trigonal pyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids, corners with six equivalent O(8)MnFe3 trigonal pyramids, and edges with three equivalent O(4)MnFe3 trigonal pyramids. In the third O site, O(3) is bonded to one Fe(2), two equivalent Fe(3), and one Zn(1) atom to form distorted OZnFe3 trigonal pyramids that share  a cornercorner with one O(2)ZnFe3 trigonal pyramid, corners with two equivalent O(5)MnFe3 trigonal pyramids, corners with two equivalent O(3)ZnFe3 trigonal pyramids, corners with three equivalent O(8)MnFe3 trigonal pyramids, corners with four equivalent O(7)MnFe3 trigonal pyramids,  an edgeedge with one O(1)MnFe3 trigonal pyramid, and edges with two equivalent O(3)ZnFe3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mn(1), one Fe(1), and two equivalent Fe(4) atoms to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(1)MnFe3 trigonal pyramid, corners with two equivalent O(4)MnFe3 trigonal pyramids, corners with two equivalent O(6)MnFe3 trigonal pyramids, corners with three equivalent O(7)MnFe3 trigonal pyramids, corners with four equivalent O(8)MnFe3 trigonal pyramids,  an edgeedge with one O(2)ZnFe3 trigonal pyramid, and edges with two equivalent O(4)MnFe3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mn(3) and three equivalent Fe(3) atoms to form distorted OMnFe3 trigonal pyramids that share corners with three equivalent O(1)MnFe3 trigonal pyramids, corners with three equivalent O(8)MnFe3 trigonal pyramids, corners with six equivalent O(3)ZnFe3 trigonal pyramids, and edges with three equivalent O(7)MnFe3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mn(2) and three equivalent Fe(4) atoms to form distorted OMnFe3 trigonal pyramids that share corners with three equivalent O(7)MnFe3 trigonal pyramids, corners with three equivalent O(2)ZnFe3 trigonal pyramids, corners with six equivalent O(4)MnFe3 trigonal pyramids, and edges with three equivalent O(8)MnFe3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mn(2), one Fe(1), and two equivalent Fe(3) atoms to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(6)MnFe3 trigonal pyramid, corners with two equivalent O(1)MnFe3 trigonal pyramids, corners with two equivalent O(7)MnFe3 trigonal pyramids, corners with three equivalent O(4)MnFe3 trigonal pyramids, corners with four equivalent O(3)ZnFe3 trigonal pyramids,  an edgeedge with one O(5)MnFe3 trigonal pyramid, and edges with two equivalent O(7)MnFe3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mn(3), one Fe(2), and two equivalent Fe(4) atoms to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(5)MnFe3 trigonal pyramid, corners with two equivalent O(8)MnFe3 trigonal pyramids, corners with two equivalent O(2)ZnFe3 trigonal pyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids, corners with four equivalent O(4)MnFe3 trigonal pyramids,  an edgeedge with one O(6)MnFe3 trigonal pyramid, and edges with two equivalent O(8)MnFe3 trigonal pyramids. is represented by the CIF card [CIF]
data_Mn3Zn(FeO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.078
_cell_length_b   6.078
_cell_length_c   10.502
_cell_angle_alpha   73.180
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   316.685
_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  0.813  0.125  0.562  1.0
  Mn  Mn1  1  0.188  0.875  0.437  1.0
  Mn  Mn2  1  0.687  0.874  0.939  1.0
  Zn  Zn3  1  0.313  0.125  0.062  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.000  0.500  1.000  1.0
  Fe  Fe6  1  0.750  0.000  0.249  1.0
  Fe  Fe7  1  0.249  0.998  0.752  1.0
  Fe  Fe8  1  0.750  0.501  0.249  1.0
  Fe  Fe9  1  0.249  0.499  0.752  1.0
  Fe  Fe10  1  0.251  0.501  0.249  1.0
  Fe  Fe11  1  0.750  0.499  0.752  1.0
  O  O12  1  0.881  0.263  0.356  1.0
  O  O13  1  0.380  0.260  0.860  1.0
  O  O14  1  0.109  0.717  0.128  1.0
  O  O15  1  0.607  0.714  0.632  1.0
  O  O16  1  0.109  0.264  0.128  1.0
  O  O17  1  0.607  0.261  0.632  1.0
  O  O18  1  0.655  0.264  0.128  1.0
  O  O19  1  0.154  0.261  0.632  1.0
  O  O20  1  0.619  0.738  0.143  1.0
  O  O21  1  0.119  0.738  0.643  1.0
  O  O22  1  0.393  0.285  0.369  1.0
  O  O23  1  0.894  0.288  0.871  1.0
  O  O24  1  0.393  0.738  0.369  1.0
  O  O25  1  0.894  0.735  0.871  1.0
  O  O26  1  0.846  0.738  0.369  1.0
  O  O27  1  0.340  0.735  0.871  1.0
[/CIF]
.
The crystal structure described by Mn3Zn(FeO2)8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1) and three equivalent O(4) atoms to form MnO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with six equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second Mn site, Mn(2) is bonded to one O(6) and three equivalent O(7) atoms to form MnO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, and corners with six equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the third Mn site, Mn(3) is bonded to one O(5) and three equivalent O(8) atoms to form MnO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with six equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(4) and three equivalent O(7) atoms to form FeO6 octahedra that share corners with three equivalent Mn(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 tetrahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. In the second Fe site, Fe(2) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form FeO6 octahedra that share corners with three equivalent Mn(3)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Mn(1)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(6), two equivalent O(4), and two equivalent O(8) atoms to form FeO6 octahedra that share  a cornercorner with one Mn(2)O4 tetrahedra,  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with four equivalent Fe(4)O6 octahedra. Zn(1) is bonded to one O(2) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, and corners with six equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1) and three equivalent Fe(3) atoms to form distorted OMnFe3 trigonal pyramids that share corners with three equivalent O(4)MnFe3 trigonal pyramids, corners with three equivalent O(5)MnFe3 trigonal pyramids, corners with six equivalent O(7)MnFe3 trigonal pyramids, and edges with three equivalent O(3)ZnFe3 trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Fe(4) and one Zn(1) atom to form distorted OZnFe3 trigonal pyramids that share corners with three equivalent O(6)MnFe3 trigonal pyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids, corners with six equivalent O(8)MnFe3 trigonal pyramids, and edges with three equivalent O(4)MnFe3 trigonal pyramids. In the third O site, O(3) is bonded to one Fe(2), two equivalent Fe(3), and one Zn(1) atom to form distorted OZnFe3 trigonal pyramids that share  a cornercorner with one O(2)ZnFe3 trigonal pyramid, corners with two equivalent O(5)MnFe3 trigonal pyramids, corners with two equivalent O(3)ZnFe3 trigonal pyramids, corners with three equivalent O(8)MnFe3 trigonal pyramids, corners with four equivalent O(7)MnFe3 trigonal pyramids,  an edgeedge with one O(1)MnFe3 trigonal pyramid, and edges with two equivalent O(3)ZnFe3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mn(1), one Fe(1), and two equivalent Fe(4) atoms to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(1)MnFe3 trigonal pyramid, corners with two equivalent O(4)MnFe3 trigonal pyramids, corners with two equivalent O(6)MnFe3 trigonal pyramids, corners with three equivalent O(7)MnFe3 trigonal pyramids, corners with four equivalent O(8)MnFe3 trigonal pyramids,  an edgeedge with one O(2)ZnFe3 trigonal pyramid, and edges with two equivalent O(4)MnFe3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mn(3) and three equivalent Fe(3) atoms to form distorted OMnFe3 trigonal pyramids that share corners with three equivalent O(1)MnFe3 trigonal pyramids, corners with three equivalent O(8)MnFe3 trigonal pyramids, corners with six equivalent O(3)ZnFe3 trigonal pyramids, and edges with three equivalent O(7)MnFe3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mn(2) and three equivalent Fe(4) atoms to form distorted OMnFe3 trigonal pyramids that share corners with three equivalent O(7)MnFe3 trigonal pyramids, corners with three equivalent O(2)ZnFe3 trigonal pyramids, corners with six equivalent O(4)MnFe3 trigonal pyramids, and edges with three equivalent O(8)MnFe3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mn(2), one Fe(1), and two equivalent Fe(3) atoms to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(6)MnFe3 trigonal pyramid, corners with two equivalent O(1)MnFe3 trigonal pyramids, corners with two equivalent O(7)MnFe3 trigonal pyramids, corners with three equivalent O(4)MnFe3 trigonal pyramids, corners with four equivalent O(3)ZnFe3 trigonal pyramids,  an edgeedge with one O(5)MnFe3 trigonal pyramid, and edges with two equivalent O(7)MnFe3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mn(3), one Fe(2), and two equivalent Fe(4) atoms to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(5)MnFe3 trigonal pyramid, corners with two equivalent O(8)MnFe3 trigonal pyramids, corners with two equivalent O(2)ZnFe3 trigonal pyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids, corners with four equivalent O(4)MnFe3 trigonal pyramids,  an edgeedge with one O(6)MnFe3 trigonal pyramid, and edges with two equivalent O(8)MnFe3 trigonal pyramids. is represented by the CIF card [CIF]
data_Mn3Zn(FeO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.078
_cell_length_b   6.078
_cell_length_c   10.502
_cell_angle_alpha   73.180
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   316.685
_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  0.813  0.125  0.562  1.0
  Mn  Mn1  1  0.188  0.875  0.437  1.0
  Mn  Mn2  1  0.687  0.874  0.939  1.0
  Zn  Zn3  1  0.313  0.125  0.062  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.000  0.500  1.000  1.0
  Fe  Fe6  1  0.750  0.000  0.249  1.0
  Fe  Fe7  1  0.249  0.998  0.752  1.0
  Fe  Fe8  1  0.750  0.501  0.249  1.0
  Fe  Fe9  1  0.249  0.499  0.752  1.0
  Fe  Fe10  1  0.251  0.501  0.249  1.0
  Fe  Fe11  1  0.750  0.499  0.752  1.0
  O  O12  1  0.881  0.263  0.356  1.0
  O  O13  1  0.380  0.260  0.860  1.0
  O  O14  1  0.109  0.717  0.128  1.0
  O  O15  1  0.607  0.714  0.632  1.0
  O  O16  1  0.109  0.264  0.128  1.0
  O  O17  1  0.607  0.261  0.632  1.0
  O  O18  1  0.655  0.264  0.128  1.0
  O  O19  1  0.154  0.261  0.632  1.0
  O  O20  1  0.619  0.738  0.143  1.0
  O  O21  1  0.119  0.738  0.643  1.0
  O  O22  1  0.393  0.285  0.369  1.0
  O  O23  1  0.894  0.288  0.871  1.0
  O  O24  1  0.393  0.738  0.369  1.0
  O  O25  1  0.894  0.735  0.871  1.0
  O  O26  1  0.846  0.738  0.369  1.0
  O  O27  1  0.340  0.735  0.871  1.0
[/CIF]
.