The compound described by Mn3N2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing MnN5 square pyramids. In the second Mn site, Mn(2) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to one Mn(2) and five equivalent Mn(1) atoms to form a mixture of corner and edge-sharing NMn6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the CIF file [CIF]
data_Mn3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.356
_cell_length_b   6.356
_cell_length_c   6.356
_cell_angle_alpha   153.973
_cell_angle_beta   153.973
_cell_angle_gamma   37.139
_symmetry_Int_Tables_number   1
_cell_volume   49.375
_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  0.669  0.669  0.000  1.0
  Mn  Mn1  1  0.331  0.331  0.000  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.840  0.840  0.000  1.0
  N  N4  1  0.160  0.160  0.000  1.0
[/CIF]
.
The compound described by Mn3N2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing MnN5 square pyramids. In the second Mn site, Mn(2) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to one Mn(2) and five equivalent Mn(1) atoms to form a mixture of corner and edge-sharing NMn6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the CIF file [CIF]
data_Mn3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.356
_cell_length_b   6.356
_cell_length_c   6.356
_cell_angle_alpha   153.973
_cell_angle_beta   153.973
_cell_angle_gamma   37.139
_symmetry_Int_Tables_number   1
_cell_volume   49.375
_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  0.669  0.669  0.000  1.0
  Mn  Mn1  1  0.331  0.331  0.000  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.840  0.840  0.000  1.0
  N  N4  1  0.160  0.160  0.000  1.0
[/CIF]
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