The material described by InGa3N4 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. In(1) is bonded to one N(4) and three equivalent N(1) atoms to form InN4 tetrahedra that share corners with three equivalent Ga(1)N4 tetrahedra, corners with three equivalent Ga(2)N4 tetrahedra, and corners with six equivalent In(1)N4 tetrahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one N(1) and three equivalent N(3) atoms to form GaN4 tetrahedra that share corners with three equivalent In(1)N4 tetrahedra, corners with three equivalent Ga(3)N4 tetrahedra, and corners with six equivalent Ga(1)N4 tetrahedra. In the second Ga site, Ga(2) is bonded to one N(2) and three equivalent N(4) atoms to form GaN4 tetrahedra that share corners with three equivalent In(1)N4 tetrahedra, corners with three equivalent Ga(3)N4 tetrahedra, and corners with six equivalent Ga(2)N4 tetrahedra. In the third Ga site, Ga(3) is bonded to one N(3) and three equivalent N(2) atoms to form corner-sharing GaN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded to three equivalent In(1) and one Ga(1) atom to form NIn3Ga tetrahedra that share corners with three equivalent N(3)Ga4 tetrahedra, corners with three equivalent N(4)InGa3 tetrahedra, and corners with six equivalent N(1)In3Ga tetrahedra. In the second N site, N(2) is bonded to one Ga(2) and three equivalent Ga(3) atoms to form NGa4 tetrahedra that share corners with three equivalent N(3)Ga4 tetrahedra, corners with three equivalent N(4)InGa3 tetrahedra, and corners with six equivalent N(2)Ga4 tetrahedra. In the third N site, N(3) is bonded to one Ga(3) and three equivalent Ga(1) atoms to form NGa4 tetrahedra that share corners with three equivalent N(2)Ga4 tetrahedra, corners with three equivalent N(1)In3Ga tetrahedra, and corners with six equivalent N(3)Ga4 tetrahedra. In the fourth N site, N(4) is bonded to one In(1) and three equivalent Ga(2) atoms to form NInGa3 tetrahedra that share corners with three equivalent N(2)Ga4 tetrahedra, corners with three equivalent N(1)In3Ga tetrahedra, and corners with six equivalent N(4)InGa3 tetrahedra. is represented by the CIF file [CIF]
data_InGa3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.306
_cell_length_b   3.306
_cell_length_c   10.825
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   102.439
_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
  In  In0  1  0.667  0.333  0.999  1.0
  Ga  Ga1  1  0.333  0.667  0.259  1.0
  Ga  Ga2  1  0.333  0.667  0.738  1.0
  Ga  Ga3  1  0.667  0.333  0.498  1.0
  N  N4  1  0.333  0.667  0.080  1.0
  N  N5  1  0.333  0.667  0.556  1.0
  N  N6  1  0.667  0.333  0.316  1.0
  N  N7  1  0.667  0.333  0.795  1.0
[/CIF]
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The material described by InGa3N4 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. In(1) is bonded to one N(4) and three equivalent N(1) atoms to form InN4 tetrahedra that share corners with three equivalent Ga(1)N4 tetrahedra, corners with three equivalent Ga(2)N4 tetrahedra, and corners with six equivalent In(1)N4 tetrahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one N(1) and three equivalent N(3) atoms to form GaN4 tetrahedra that share corners with three equivalent In(1)N4 tetrahedra, corners with three equivalent Ga(3)N4 tetrahedra, and corners with six equivalent Ga(1)N4 tetrahedra. In the second Ga site, Ga(2) is bonded to one N(2) and three equivalent N(4) atoms to form GaN4 tetrahedra that share corners with three equivalent In(1)N4 tetrahedra, corners with three equivalent Ga(3)N4 tetrahedra, and corners with six equivalent Ga(2)N4 tetrahedra. In the third Ga site, Ga(3) is bonded to one N(3) and three equivalent N(2) atoms to form corner-sharing GaN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded to three equivalent In(1) and one Ga(1) atom to form NIn3Ga tetrahedra that share corners with three equivalent N(3)Ga4 tetrahedra, corners with three equivalent N(4)InGa3 tetrahedra, and corners with six equivalent N(1)In3Ga tetrahedra. In the second N site, N(2) is bonded to one Ga(2) and three equivalent Ga(3) atoms to form NGa4 tetrahedra that share corners with three equivalent N(3)Ga4 tetrahedra, corners with three equivalent N(4)InGa3 tetrahedra, and corners with six equivalent N(2)Ga4 tetrahedra. In the third N site, N(3) is bonded to one Ga(3) and three equivalent Ga(1) atoms to form NGa4 tetrahedra that share corners with three equivalent N(2)Ga4 tetrahedra, corners with three equivalent N(1)In3Ga tetrahedra, and corners with six equivalent N(3)Ga4 tetrahedra. In the fourth N site, N(4) is bonded to one In(1) and three equivalent Ga(2) atoms to form NInGa3 tetrahedra that share corners with three equivalent N(2)Ga4 tetrahedra, corners with three equivalent N(1)In3Ga tetrahedra, and corners with six equivalent N(4)InGa3 tetrahedra. is represented by the CIF file [CIF]
data_InGa3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.306
_cell_length_b   3.306
_cell_length_c   10.825
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   102.439
_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
  In  In0  1  0.667  0.333  0.999  1.0
  Ga  Ga1  1  0.333  0.667  0.259  1.0
  Ga  Ga2  1  0.333  0.667  0.738  1.0
  Ga  Ga3  1  0.667  0.333  0.498  1.0
  N  N4  1  0.333  0.667  0.080  1.0
  N  N5  1  0.333  0.667  0.556  1.0
  N  N6  1  0.667  0.333  0.316  1.0
  N  N7  1  0.667  0.333  0.795  1.0
[/CIF]
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