The crystal structure described by FeGa2N3 is Chalcopyrite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Fe(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form FeN4 tetrahedra that share corners with two equivalent Fe(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 Fe(1)N4 tetrahedra and corners with seven equivalent Ga(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Fe(1) and three equivalent Ga(1) atoms to form NGa3Fe tetrahedra that share corners with five equivalent N(2)Ga2Fe2 tetrahedra and corners with seven equivalent N(1)Ga3Fe tetrahedra. In the second N site, N(2) is bonded to two equivalent Fe(1) and two equivalent Ga(1) atoms to form NGa2Fe2 tetrahedra that share corners with two equivalent N(2)Ga2Fe2 tetrahedra and corners with ten equivalent N(1)Ga3Fe tetrahedra. is represented by the CIF file [CIF]
data_Ga2FeN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.588
_cell_length_b   5.582
_cell_length_c   5.235
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.967
_symmetry_Int_Tables_number   1
_cell_volume   141.463
_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
  Ga  Ga0  1  0.333  0.327  0.495  1.0
  Ga  Ga1  1  0.667  0.994  0.495  1.0
  Ga  Ga2  1  0.667  0.673  0.995  1.0
  Ga  Ga3  1  0.333  0.006  0.995  1.0
  Fe  Fe4  1  0.000  0.660  0.487  1.0
  Fe  Fe5  1  0.000  0.340  0.987  1.0
  N  N6  1  0.337  0.339  0.871  1.0
  N  N7  1  0.663  0.003  0.871  1.0
  N  N8  1  0.663  0.661  0.371  1.0
  N  N9  1  0.337  0.997  0.371  1.0
  N  N10  1  0.000  0.680  0.870  1.0
  N  N11  1  0.000  0.320  0.370  1.0
[/CIF]
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The crystal structure described by FeGa2N3 is Chalcopyrite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Fe(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form FeN4 tetrahedra that share corners with two equivalent Fe(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 Fe(1)N4 tetrahedra and corners with seven equivalent Ga(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Fe(1) and three equivalent Ga(1) atoms to form NGa3Fe tetrahedra that share corners with five equivalent N(2)Ga2Fe2 tetrahedra and corners with seven equivalent N(1)Ga3Fe tetrahedra. In the second N site, N(2) is bonded to two equivalent Fe(1) and two equivalent Ga(1) atoms to form NGa2Fe2 tetrahedra that share corners with two equivalent N(2)Ga2Fe2 tetrahedra and corners with ten equivalent N(1)Ga3Fe tetrahedra. is represented by the CIF file [CIF]
data_Ga2FeN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.588
_cell_length_b   5.582
_cell_length_c   5.235
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.967
_symmetry_Int_Tables_number   1
_cell_volume   141.463
_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
  Ga  Ga0  1  0.333  0.327  0.495  1.0
  Ga  Ga1  1  0.667  0.994  0.495  1.0
  Ga  Ga2  1  0.667  0.673  0.995  1.0
  Ga  Ga3  1  0.333  0.006  0.995  1.0
  Fe  Fe4  1  0.000  0.660  0.487  1.0
  Fe  Fe5  1  0.000  0.340  0.987  1.0
  N  N6  1  0.337  0.339  0.871  1.0
  N  N7  1  0.663  0.003  0.871  1.0
  N  N8  1  0.663  0.661  0.371  1.0
  N  N9  1  0.337  0.997  0.371  1.0
  N  N10  1  0.000  0.680  0.870  1.0
  N  N11  1  0.000  0.320  0.370  1.0
[/CIF]
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