The compound described by Mn3(FeN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing MnN4 tetrahedra. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. Fe(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted see-saw-like geometry to one Mn(2), two equivalent Mn(1), and one Fe(1) atom. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Mn(2), two equivalent Mn(1), and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3(FeN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.223
_cell_length_b   6.259
_cell_length_c   5.238
_cell_angle_alpha   90.000
_cell_angle_beta   93.558
_cell_angle_gamma   120.192
_symmetry_Int_Tables_number   1
_cell_volume   175.886
_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  0.361  0.086  0.944  1.0
  Mn  Mn1  1  0.639  0.726  0.556  1.0
  Mn  Mn2  1  0.639  0.914  0.056  1.0
  Mn  Mn3  1  0.361  0.274  0.444  1.0
  Mn  Mn4  1  0.000  0.673  0.750  1.0
  Mn  Mn5  1  0.000  0.327  0.250  1.0
  Fe  Fe6  1  0.686  0.186  0.626  1.0
  Fe  Fe7  1  0.314  0.500  0.874  1.0
  Fe  Fe8  1  0.314  0.814  0.374  1.0
  Fe  Fe9  1  0.686  0.500  0.126  1.0
  N  N10  1  0.231  0.976  0.606  1.0
  N  N11  1  0.769  0.745  0.894  1.0
  N  N12  1  0.769  0.024  0.394  1.0
  N  N13  1  0.231  0.255  0.106  1.0
  N  N14  1  0.721  0.247  0.977  1.0
  N  N15  1  0.279  0.526  0.523  1.0
  N  N16  1  0.279  0.753  0.023  1.0
  N  N17  1  0.721  0.474  0.477  1.0
[/CIF]
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The compound described by Mn3(FeN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing MnN4 tetrahedra. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. Fe(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted see-saw-like geometry to one Mn(2), two equivalent Mn(1), and one Fe(1) atom. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Mn(2), two equivalent Mn(1), and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3(FeN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.223
_cell_length_b   6.259
_cell_length_c   5.238
_cell_angle_alpha   90.000
_cell_angle_beta   93.558
_cell_angle_gamma   120.192
_symmetry_Int_Tables_number   1
_cell_volume   175.886
_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  0.361  0.086  0.944  1.0
  Mn  Mn1  1  0.639  0.726  0.556  1.0
  Mn  Mn2  1  0.639  0.914  0.056  1.0
  Mn  Mn3  1  0.361  0.274  0.444  1.0
  Mn  Mn4  1  0.000  0.673  0.750  1.0
  Mn  Mn5  1  0.000  0.327  0.250  1.0
  Fe  Fe6  1  0.686  0.186  0.626  1.0
  Fe  Fe7  1  0.314  0.500  0.874  1.0
  Fe  Fe8  1  0.314  0.814  0.374  1.0
  Fe  Fe9  1  0.686  0.500  0.126  1.0
  N  N10  1  0.231  0.976  0.606  1.0
  N  N11  1  0.769  0.745  0.894  1.0
  N  N12  1  0.769  0.024  0.394  1.0
  N  N13  1  0.231  0.255  0.106  1.0
  N  N14  1  0.721  0.247  0.977  1.0
  N  N15  1  0.279  0.526  0.523  1.0
  N  N16  1  0.279  0.753  0.023  1.0
  N  N17  1  0.721  0.474  0.477  1.0
[/CIF]
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