The compound described by Mn2CuN2 crystallizes in the orthorhombic Pmmn space group. Mn(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing MnN5 square pyramids. Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Mn(1) and one Cu(1) atom to form a mixture of corner and edge-sharing NMn5Cu octahedra. The corner-sharing octahedral tilt angles range from 2-4°. is represented by the CIF file [CIF]
data_Mn2CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.851
_cell_length_b   2.852
_cell_length_c   6.401
_cell_angle_alpha   102.874
_cell_angle_beta   102.866
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   49.397
_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
  Cu  Cu0  1  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.164  0.164  0.827  1.0
  Mn  Mn2  1  0.836  0.836  0.173  1.0
  N  N3  1  0.661  0.661  0.822  1.0
  N  N4  1  0.339  0.339  0.178  1.0
[/CIF]
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The compound described by Mn2CuN2 crystallizes in the orthorhombic Pmmn space group. Mn(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing MnN5 square pyramids. Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Mn(1) and one Cu(1) atom to form a mixture of corner and edge-sharing NMn5Cu octahedra. The corner-sharing octahedral tilt angles range from 2-4°. is represented by the CIF file [CIF]
data_Mn2CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.851
_cell_length_b   2.852
_cell_length_c   6.401
_cell_angle_alpha   102.874
_cell_angle_beta   102.866
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   49.397
_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
  Cu  Cu0  1  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.164  0.164  0.827  1.0
  Mn  Mn2  1  0.836  0.836  0.173  1.0
  N  N3  1  0.661  0.661  0.822  1.0
  N  N4  1  0.339  0.339  0.178  1.0
[/CIF]
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