The material structure described by Mn3(FeN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one N(1) and three equivalent N(2) atoms. In the second Mn site, Mn(2) is bonded to four equivalent N(1) atoms to form distorted MnN4 tetrahedra that share corners with two equivalent Fe(1)N4 trigonal pyramids, edges with two equivalent Mn(2)N4 tetrahedra, and  an edgeedge with one Fe(1)N4 trigonal pyramid. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted FeN4 trigonal pyramids that share corners with two equivalent Mn(2)N4 tetrahedra and  an edgeedge with one Mn(2)N4 tetrahedra. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Mn(1), two equivalent Mn(2), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing NMn3Fe2 trigonal bipyramids. In the second N site, N(2) is bonded in a 5-coordinate geometry to three equivalent Mn(1), one Fe(1), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Mn3(FeN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.692
_cell_length_b   7.147
_cell_length_c   10.173
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   341.121
_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  0.585  0.140  0.452  1.0
  Mn  Mn1  1  0.915  0.860  0.452  1.0
  Mn  Mn2  1  0.585  0.360  0.048  1.0
  Mn  Mn3  1  0.915  0.640  0.048  1.0
  Mn  Mn4  1  0.415  0.860  0.548  1.0
  Mn  Mn5  1  0.085  0.140  0.548  1.0
  Mn  Mn6  1  0.415  0.640  0.952  1.0
  Mn  Mn7  1  0.085  0.360  0.952  1.0
  Mn  Mn8  1  0.750  0.500  0.500  1.0
  Mn  Mn9  1  0.750  0.000  0.000  1.0
  Mn  Mn10  1  0.250  0.500  0.500  1.0
  Mn  Mn11  1  0.250  0.000  1.000  1.0
  Fe  Fe12  1  0.750  0.500  0.747  1.0
  Fe  Fe13  1  0.750  0.000  0.753  1.0
  Fe  Fe14  1  0.250  0.500  0.253  1.0
  Fe  Fe15  1  0.250  0.000  0.247  1.0
  Fe  Fe16  1  0.298  0.250  0.750  1.0
  Fe  Fe17  1  0.202  0.750  0.750  1.0
  Fe  Fe18  1  0.702  0.750  0.250  1.0
  Fe  Fe19  1  0.798  0.250  0.250  1.0
  N  N20  1  0.006  0.380  0.622  1.0
  N  N21  1  0.494  0.620  0.622  1.0
  N  N22  1  0.006  0.120  0.878  1.0
  N  N23  1  0.494  0.880  0.878  1.0
  N  N24  1  0.994  0.620  0.378  1.0
  N  N25  1  0.506  0.380  0.378  1.0
  N  N26  1  0.994  0.880  0.122  1.0
  N  N27  1  0.506  0.120  0.122  1.0
  N  N28  1  0.482  0.405  0.873  1.0
  N  N29  1  0.018  0.595  0.873  1.0
  N  N30  1  0.482  0.095  0.627  1.0
  N  N31  1  0.018  0.905  0.627  1.0
  N  N32  1  0.518  0.595  0.127  1.0
  N  N33  1  0.982  0.405  0.127  1.0
  N  N34  1  0.518  0.905  0.373  1.0
  N  N35  1  0.982  0.095  0.373  1.0
[/CIF]
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The material structure described by Mn3(FeN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one N(1) and three equivalent N(2) atoms. In the second Mn site, Mn(2) is bonded to four equivalent N(1) atoms to form distorted MnN4 tetrahedra that share corners with two equivalent Fe(1)N4 trigonal pyramids, edges with two equivalent Mn(2)N4 tetrahedra, and  an edgeedge with one Fe(1)N4 trigonal pyramid. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted FeN4 trigonal pyramids that share corners with two equivalent Mn(2)N4 tetrahedra and  an edgeedge with one Mn(2)N4 tetrahedra. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Mn(1), two equivalent Mn(2), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing NMn3Fe2 trigonal bipyramids. In the second N site, N(2) is bonded in a 5-coordinate geometry to three equivalent Mn(1), one Fe(1), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Mn3(FeN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.692
_cell_length_b   7.147
_cell_length_c   10.173
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   341.121
_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  0.585  0.140  0.452  1.0
  Mn  Mn1  1  0.915  0.860  0.452  1.0
  Mn  Mn2  1  0.585  0.360  0.048  1.0
  Mn  Mn3  1  0.915  0.640  0.048  1.0
  Mn  Mn4  1  0.415  0.860  0.548  1.0
  Mn  Mn5  1  0.085  0.140  0.548  1.0
  Mn  Mn6  1  0.415  0.640  0.952  1.0
  Mn  Mn7  1  0.085  0.360  0.952  1.0
  Mn  Mn8  1  0.750  0.500  0.500  1.0
  Mn  Mn9  1  0.750  0.000  0.000  1.0
  Mn  Mn10  1  0.250  0.500  0.500  1.0
  Mn  Mn11  1  0.250  0.000  1.000  1.0
  Fe  Fe12  1  0.750  0.500  0.747  1.0
  Fe  Fe13  1  0.750  0.000  0.753  1.0
  Fe  Fe14  1  0.250  0.500  0.253  1.0
  Fe  Fe15  1  0.250  0.000  0.247  1.0
  Fe  Fe16  1  0.298  0.250  0.750  1.0
  Fe  Fe17  1  0.202  0.750  0.750  1.0
  Fe  Fe18  1  0.702  0.750  0.250  1.0
  Fe  Fe19  1  0.798  0.250  0.250  1.0
  N  N20  1  0.006  0.380  0.622  1.0
  N  N21  1  0.494  0.620  0.622  1.0
  N  N22  1  0.006  0.120  0.878  1.0
  N  N23  1  0.494  0.880  0.878  1.0
  N  N24  1  0.994  0.620  0.378  1.0
  N  N25  1  0.506  0.380  0.378  1.0
  N  N26  1  0.994  0.880  0.122  1.0
  N  N27  1  0.506  0.120  0.122  1.0
  N  N28  1  0.482  0.405  0.873  1.0
  N  N29  1  0.018  0.595  0.873  1.0
  N  N30  1  0.482  0.095  0.627  1.0
  N  N31  1  0.018  0.905  0.627  1.0
  N  N32  1  0.518  0.595  0.127  1.0
  N  N33  1  0.982  0.405  0.127  1.0
  N  N34  1  0.518  0.905  0.373  1.0
  N  N35  1  0.982  0.095  0.373  1.0
[/CIF]
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