The crystal structure described by InGa2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. In(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form InN4 tetrahedra that share corners with two equivalent In(1)N4 tetrahedra and corners with ten equivalent Ga(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 five equivalent In(1)N4 tetrahedra and corners with seven equivalent Ga(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent In(1) and two equivalent Ga(1) atoms to form NIn2Ga2 tetrahedra that share corners with two equivalent N(2)In2Ga2 tetrahedra and corners with ten equivalent N(1)InGa3 tetrahedra. In the second N site, N(1) is bonded to one In(1) and three equivalent Ga(1) atoms to form NInGa3 tetrahedra that share corners with five equivalent N(2)In2Ga2 tetrahedra and corners with seven equivalent N(1)InGa3 tetrahedra. is represented by the CIF card [CIF]
data_InGa2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.777
_cell_length_b   5.773
_cell_length_c   5.390
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.976
_symmetry_Int_Tables_number   1
_cell_volume   155.727
_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  0.000  0.675  0.490  1.0
  In  In1  1  0.000  0.325  0.990  1.0
  Ga  Ga2  1  0.341  0.334  0.493  1.0
  Ga  Ga3  1  0.659  0.993  0.493  1.0
  Ga  Ga4  1  0.659  0.666  0.993  1.0
  Ga  Ga5  1  0.341  0.007  0.993  1.0
  N  N6  1  0.361  0.334  0.859  1.0
  N  N7  1  0.639  0.973  0.859  1.0
  N  N8  1  0.639  0.666  0.359  1.0
  N  N9  1  0.361  0.027  0.359  1.0
  N  N10  1  0.000  0.693  0.895  1.0
  N  N11  1  0.000  0.307  0.395  1.0
[/CIF]
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The crystal structure described by InGa2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. In(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form InN4 tetrahedra that share corners with two equivalent In(1)N4 tetrahedra and corners with ten equivalent Ga(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 five equivalent In(1)N4 tetrahedra and corners with seven equivalent Ga(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent In(1) and two equivalent Ga(1) atoms to form NIn2Ga2 tetrahedra that share corners with two equivalent N(2)In2Ga2 tetrahedra and corners with ten equivalent N(1)InGa3 tetrahedra. In the second N site, N(1) is bonded to one In(1) and three equivalent Ga(1) atoms to form NInGa3 tetrahedra that share corners with five equivalent N(2)In2Ga2 tetrahedra and corners with seven equivalent N(1)InGa3 tetrahedra. is represented by the CIF card [CIF]
data_InGa2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.777
_cell_length_b   5.773
_cell_length_c   5.390
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.976
_symmetry_Int_Tables_number   1
_cell_volume   155.727
_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  0.000  0.675  0.490  1.0
  In  In1  1  0.000  0.325  0.990  1.0
  Ga  Ga2  1  0.341  0.334  0.493  1.0
  Ga  Ga3  1  0.659  0.993  0.493  1.0
  Ga  Ga4  1  0.659  0.666  0.993  1.0
  Ga  Ga5  1  0.341  0.007  0.993  1.0
  N  N6  1  0.361  0.334  0.859  1.0
  N  N7  1  0.639  0.973  0.859  1.0
  N  N8  1  0.639  0.666  0.359  1.0
  N  N9  1  0.361  0.027  0.359  1.0
  N  N10  1  0.000  0.693  0.895  1.0
  N  N11  1  0.000  0.307  0.395  1.0
[/CIF]
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