The structure described by GaAlN2 is Chalcopyrite-like structured and crystallizes in the trigonal P3m1 space group. Ga(1) is bonded to one N(1) and three equivalent N(2) atoms to form GaN4 tetrahedra that share corners with six equivalent Ga(1)N4 tetrahedra and corners with six equivalent Al(1)N4 tetrahedra. Al(1) is bonded to one N(2) and three equivalent N(1) atoms to form AlN4 tetrahedra that share corners with six equivalent Ga(1)N4 tetrahedra and corners with six equivalent Al(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ga(1) and three equivalent Al(1) atoms to form NAl3Ga tetrahedra that share corners with six equivalent N(1)Al3Ga tetrahedra and corners with six equivalent N(2)AlGa3 tetrahedra. In the second N site, N(2) is bonded to three equivalent Ga(1) and one Al(1) atom to form NAlGa3 tetrahedra that share corners with six equivalent N(1)Al3Ga tetrahedra and corners with six equivalent N(2)AlGa3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlGaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.145
_cell_length_b   3.145
_cell_length_c   5.097
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   43.667
_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
  Al  Al0  1  0.000  0.000  0.999  1.0
  Ga  Ga1  1  0.667  0.333  0.497  1.0
  N  N2  1  0.667  0.333  0.112  1.0
  N  N3  1  0.000  0.000  0.628  1.0
[/CIF]
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The structure described by GaAlN2 is Chalcopyrite-like structured and crystallizes in the trigonal P3m1 space group. Ga(1) is bonded to one N(1) and three equivalent N(2) atoms to form GaN4 tetrahedra that share corners with six equivalent Ga(1)N4 tetrahedra and corners with six equivalent Al(1)N4 tetrahedra. Al(1) is bonded to one N(2) and three equivalent N(1) atoms to form AlN4 tetrahedra that share corners with six equivalent Ga(1)N4 tetrahedra and corners with six equivalent Al(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ga(1) and three equivalent Al(1) atoms to form NAl3Ga tetrahedra that share corners with six equivalent N(1)Al3Ga tetrahedra and corners with six equivalent N(2)AlGa3 tetrahedra. In the second N site, N(2) is bonded to three equivalent Ga(1) and one Al(1) atom to form NAlGa3 tetrahedra that share corners with six equivalent N(1)Al3Ga tetrahedra and corners with six equivalent N(2)AlGa3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlGaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.145
_cell_length_b   3.145
_cell_length_c   5.097
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   43.667
_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
  Al  Al0  1  0.000  0.000  0.999  1.0
  Ga  Ga1  1  0.667  0.333  0.497  1.0
  N  N2  1  0.667  0.333  0.112  1.0
  N  N3  1  0.000  0.000  0.628  1.0
[/CIF]
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