The structure described by InAlN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. In(1) is bonded to four equivalent N(1) atoms to form InN4 tetrahedra that share corners with four equivalent In(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 In(1)N4 tetrahedra. N(1) is bonded to two equivalent In(1) and two equivalent Al(1) atoms to form corner-sharing NAl2In2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlInN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.725
_cell_length_b   4.746
_cell_length_c   9.278
_cell_angle_alpha   90.000
_cell_angle_beta   144.118
_cell_angle_gamma   114.485
_symmetry_Int_Tables_number   1
_cell_volume   104.478
_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
  Al  Al0  1  0.000  0.500  0.250  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  In  In2  1  0.000  0.500  0.750  1.0
  In  In3  1  0.000  0.000  0.500  1.0
  N  N4  1  0.500  0.049  0.125  1.0
  N  N5  1  0.500  0.951  0.625  1.0
  N  N6  1  0.401  0.451  0.326  1.0
  N  N7  1  0.599  0.549  0.924  1.0
[/CIF]
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The structure described by InAlN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. In(1) is bonded to four equivalent N(1) atoms to form InN4 tetrahedra that share corners with four equivalent In(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 In(1)N4 tetrahedra. N(1) is bonded to two equivalent In(1) and two equivalent Al(1) atoms to form corner-sharing NAl2In2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlInN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.725
_cell_length_b   4.746
_cell_length_c   9.278
_cell_angle_alpha   90.000
_cell_angle_beta   144.118
_cell_angle_gamma   114.485
_symmetry_Int_Tables_number   1
_cell_volume   104.478
_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
  Al  Al0  1  0.000  0.500  0.250  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  In  In2  1  0.000  0.500  0.750  1.0
  In  In3  1  0.000  0.000  0.500  1.0
  N  N4  1  0.500  0.049  0.125  1.0
  N  N5  1  0.500  0.951  0.625  1.0
  N  N6  1  0.401  0.451  0.326  1.0
  N  N7  1  0.599  0.549  0.924  1.0
[/CIF]
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