The material described by Mn2N is zeta iron carbide-like structured and crystallizes in the orthorhombic Pbcn space group. Mn(1) is bonded in a distorted T-shaped geometry to three equivalent N(1) atoms. N(1) is bonded to six equivalent Mn(1) atoms to form a mixture of corner and edge-sharing NMn6 octahedra. The corner-sharing octahedral tilt angles are 49°. is represented by the CIF file [CIF]
data_Mn2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.391
_cell_length_b   4.872
_cell_length_c   5.623
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.294
_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  0.245  0.082  0.123  1.0
  Mn  Mn1  1  0.745  0.918  0.377  1.0
  Mn  Mn2  1  0.255  0.582  0.377  1.0
  Mn  Mn3  1  0.755  0.418  0.123  1.0
  Mn  Mn4  1  0.245  0.582  0.877  1.0
  Mn  Mn5  1  0.745  0.418  0.623  1.0
  Mn  Mn6  1  0.255  0.082  0.623  1.0
  Mn  Mn7  1  0.755  0.918  0.877  1.0
  N  N8  1  0.500  0.750  0.128  1.0
  N  N9  1  1.000  0.250  0.372  1.0
  N  N10  1  0.500  0.250  0.872  1.0
  N  N11  1  0.000  0.750  0.628  1.0
[/CIF]
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The material described by Mn2N is zeta iron carbide-like structured and crystallizes in the orthorhombic Pbcn space group. Mn(1) is bonded in a distorted T-shaped geometry to three equivalent N(1) atoms. N(1) is bonded to six equivalent Mn(1) atoms to form a mixture of corner and edge-sharing NMn6 octahedra. The corner-sharing octahedral tilt angles are 49°. is represented by the CIF file [CIF]
data_Mn2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.391
_cell_length_b   4.872
_cell_length_c   5.623
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.294
_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  0.245  0.082  0.123  1.0
  Mn  Mn1  1  0.745  0.918  0.377  1.0
  Mn  Mn2  1  0.255  0.582  0.377  1.0
  Mn  Mn3  1  0.755  0.418  0.123  1.0
  Mn  Mn4  1  0.245  0.582  0.877  1.0
  Mn  Mn5  1  0.745  0.418  0.623  1.0
  Mn  Mn6  1  0.255  0.082  0.623  1.0
  Mn  Mn7  1  0.755  0.918  0.877  1.0
  N  N8  1  0.500  0.750  0.128  1.0
  N  N9  1  1.000  0.250  0.372  1.0
  N  N10  1  0.500  0.250  0.872  1.0
  N  N11  1  0.000  0.750  0.628  1.0
[/CIF]
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