The crystal structure described by MnAlN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Mn(1) is bonded to four equivalent N(1) atoms to form MnN4 tetrahedra that share corners with four equivalent Mn(1)N4 tetrahedra and corners with eight equivalent Al(1)N4 tetrahedra. Al(1) is bonded to four equivalent N(1) atoms to form AlN4 tetrahedra that share corners with four equivalent Al(1)N4 tetrahedra and corners with eight equivalent Mn(1)N4 tetrahedra. N(1) is bonded to two equivalent Mn(1) and two equivalent Al(1) atoms to form corner-sharing NMn2Al2 tetrahedra. is represented by the CIF file [CIF]
data_MnAlN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.495
_cell_length_b   4.490
_cell_length_c   8.970
_cell_angle_alpha   90.000
_cell_angle_beta   144.709
_cell_angle_gamma   114.111
_symmetry_Int_Tables_number   1
_cell_volume   90.404
_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  0.000  0.500  0.750  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Al  Al2  1  0.000  0.500  0.250  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.500  0.015  0.125  1.0
  N  N5  1  0.500  0.985  0.625  1.0
  N  N6  1  0.471  0.485  0.360  1.0
  N  N7  1  0.529  0.515  0.890  1.0
[/CIF]
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The crystal structure described by MnAlN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Mn(1) is bonded to four equivalent N(1) atoms to form MnN4 tetrahedra that share corners with four equivalent Mn(1)N4 tetrahedra and corners with eight equivalent Al(1)N4 tetrahedra. Al(1) is bonded to four equivalent N(1) atoms to form AlN4 tetrahedra that share corners with four equivalent Al(1)N4 tetrahedra and corners with eight equivalent Mn(1)N4 tetrahedra. N(1) is bonded to two equivalent Mn(1) and two equivalent Al(1) atoms to form corner-sharing NMn2Al2 tetrahedra. is represented by the CIF file [CIF]
data_MnAlN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.495
_cell_length_b   4.490
_cell_length_c   8.970
_cell_angle_alpha   90.000
_cell_angle_beta   144.709
_cell_angle_gamma   114.111
_symmetry_Int_Tables_number   1
_cell_volume   90.404
_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  0.000  0.500  0.750  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Al  Al2  1  0.000  0.500  0.250  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.500  0.015  0.125  1.0
  N  N5  1  0.500  0.985  0.625  1.0
  N  N6  1  0.471  0.485  0.360  1.0
  N  N7  1  0.529  0.515  0.890  1.0
[/CIF]
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