The material structure described by Mn2NiN2 crystallizes in the trigonal P-3m1 space group. Mn(1) is bonded to four equivalent N(1) atoms to form distorted MnN4 trigonal pyramids that share corners with six equivalent Ni(1)N6 cuboctahedra, corners with six equivalent Mn(1)N4 trigonal pyramids, edges with three equivalent Ni(1)N6 cuboctahedra, and edges with three equivalent Mn(1)N4 trigonal pyramids. Ni(1) is bonded to six equivalent N(1) atoms to form distorted NiN6 cuboctahedra that share corners with twelve equivalent Mn(1)N4 trigonal pyramids, edges with six equivalent Ni(1)N6 cuboctahedra, and edges with six equivalent Mn(1)N4 trigonal pyramids. N(1) is bonded in a 7-coordinate geometry to four equivalent Mn(1) and three equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Mn2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.179
_cell_length_b   3.182
_cell_length_c   5.377
_cell_angle_alpha   90.000
_cell_angle_beta   90.062
_cell_angle_gamma   120.033
_symmetry_Int_Tables_number   1
_cell_volume   47.079
_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  0.667  0.333  0.163  1.0
  Mn  Mn1  1  0.333  0.667  0.837  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  N  N3  1  0.666  0.333  0.785  1.0
  N  N4  1  0.334  0.667  0.215  1.0
[/CIF]
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The material structure described by Mn2NiN2 crystallizes in the trigonal P-3m1 space group. Mn(1) is bonded to four equivalent N(1) atoms to form distorted MnN4 trigonal pyramids that share corners with six equivalent Ni(1)N6 cuboctahedra, corners with six equivalent Mn(1)N4 trigonal pyramids, edges with three equivalent Ni(1)N6 cuboctahedra, and edges with three equivalent Mn(1)N4 trigonal pyramids. Ni(1) is bonded to six equivalent N(1) atoms to form distorted NiN6 cuboctahedra that share corners with twelve equivalent Mn(1)N4 trigonal pyramids, edges with six equivalent Ni(1)N6 cuboctahedra, and edges with six equivalent Mn(1)N4 trigonal pyramids. N(1) is bonded in a 7-coordinate geometry to four equivalent Mn(1) and three equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Mn2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.179
_cell_length_b   3.182
_cell_length_c   5.377
_cell_angle_alpha   90.000
_cell_angle_beta   90.062
_cell_angle_gamma   120.033
_symmetry_Int_Tables_number   1
_cell_volume   47.079
_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  0.667  0.333  0.163  1.0
  Mn  Mn1  1  0.333  0.667  0.837  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  N  N3  1  0.666  0.333  0.785  1.0
  N  N4  1  0.334  0.667  0.215  1.0
[/CIF]
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