The material described by In3GaN4 is Enargite-like structured and crystallizes in the hexagonal P6_3mc space group. In(1) is bonded to one N(2) and three equivalent N(1) atoms to form InN4 tetrahedra that share corners with four equivalent Ga(1)N4 tetrahedra and corners with eight equivalent In(1)N4 tetrahedra. Ga(1) is bonded to one N(2) and three equivalent N(1) atoms to form GaN4 tetrahedra that share corners with twelve equivalent In(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent In(1) and one Ga(1) atom to form corner-sharing NIn3Ga tetrahedra. In the second N site, N(2) is bonded to three equivalent In(1) and one Ga(1) atom to form corner-sharing NIn3Ga tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_In3GaN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.971
_cell_length_b   6.971
_cell_length_c   5.668
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   238.571
_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
  In  In0  1  0.339  0.170  0.999  1.0
  In  In1  1  0.830  0.661  0.999  1.0
  In  In2  1  0.830  0.170  0.999  1.0
  In  In3  1  0.170  0.830  0.499  1.0
  In  In4  1  0.170  0.339  0.499  1.0
  In  In5  1  0.661  0.830  0.499  1.0
  Ga  Ga6  1  0.333  0.667  0.999  1.0
  Ga  Ga7  1  0.667  0.333  0.499  1.0
  N  N8  1  0.354  0.177  0.386  1.0
  N  N9  1  0.823  0.646  0.386  1.0
  N  N10  1  0.823  0.177  0.386  1.0
  N  N11  1  0.333  0.667  0.346  1.0
  N  N12  1  0.667  0.333  0.846  1.0
  N  N13  1  0.177  0.823  0.886  1.0
  N  N14  1  0.177  0.354  0.886  1.0
  N  N15  1  0.646  0.823  0.886  1.0
[/CIF]
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The material described by In3GaN4 is Enargite-like structured and crystallizes in the hexagonal P6_3mc space group. In(1) is bonded to one N(2) and three equivalent N(1) atoms to form InN4 tetrahedra that share corners with four equivalent Ga(1)N4 tetrahedra and corners with eight equivalent In(1)N4 tetrahedra. Ga(1) is bonded to one N(2) and three equivalent N(1) atoms to form GaN4 tetrahedra that share corners with twelve equivalent In(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent In(1) and one Ga(1) atom to form corner-sharing NIn3Ga tetrahedra. In the second N site, N(2) is bonded to three equivalent In(1) and one Ga(1) atom to form corner-sharing NIn3Ga tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_In3GaN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.971
_cell_length_b   6.971
_cell_length_c   5.668
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   238.571
_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
  In  In0  1  0.339  0.170  0.999  1.0
  In  In1  1  0.830  0.661  0.999  1.0
  In  In2  1  0.830  0.170  0.999  1.0
  In  In3  1  0.170  0.830  0.499  1.0
  In  In4  1  0.170  0.339  0.499  1.0
  In  In5  1  0.661  0.830  0.499  1.0
  Ga  Ga6  1  0.333  0.667  0.999  1.0
  Ga  Ga7  1  0.667  0.333  0.499  1.0
  N  N8  1  0.354  0.177  0.386  1.0
  N  N9  1  0.823  0.646  0.386  1.0
  N  N10  1  0.823  0.177  0.386  1.0
  N  N11  1  0.333  0.667  0.346  1.0
  N  N12  1  0.667  0.333  0.846  1.0
  N  N13  1  0.177  0.823  0.886  1.0
  N  N14  1  0.177  0.354  0.886  1.0
  N  N15  1  0.646  0.823  0.886  1.0
[/CIF]
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