The material structure described by Fe2GaN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Fe(1) is bonded to one N(2) and three equivalent N(1) atoms to form FeN4 tetrahedra that share corners with five equivalent Ga(1)N4 tetrahedra and corners with seven equivalent Fe(1)N4 tetrahedra. Ga(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form GaN4 tetrahedra that share corners with two equivalent Ga(1)N4 tetrahedra and corners with ten equivalent Fe(1)N4 tetrahedra. There are two inequivalent N sites. In the first 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)GaFe3 tetrahedra. In the second N site, N(1) is bonded to three equivalent Fe(1) and one Ga(1) atom to form NGaFe3 tetrahedra that share corners with five equivalent N(2)Ga2Fe2 tetrahedra and corners with seven equivalent N(1)GaFe3 tetrahedra. is represented by the CIF file [CIF]
data_GaFe2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.374
_cell_length_b   5.294
_cell_length_c   5.047
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.507
_symmetry_Int_Tables_number   1
_cell_volume   124.983
_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  0.000  0.666  0.503  1.0
  Ga  Ga1  1  0.000  0.334  0.003  1.0
  Fe  Fe2  1  0.354  0.342  0.488  1.0
  Fe  Fe3  1  0.646  0.988  0.488  1.0
  Fe  Fe4  1  0.646  0.658  0.988  1.0
  Fe  Fe5  1  0.354  0.012  0.988  1.0
  N  N6  1  0.337  0.327  0.852  1.0
  N  N7  1  0.663  0.991  0.852  1.0
  N  N8  1  0.663  0.673  0.352  1.0
  N  N9  1  0.337  0.009  0.352  1.0
  N  N10  1  0.000  0.685  0.888  1.0
  N  N11  1  0.000  0.315  0.388  1.0
[/CIF]
.
The material structure described by Fe2GaN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Fe(1) is bonded to one N(2) and three equivalent N(1) atoms to form FeN4 tetrahedra that share corners with five equivalent Ga(1)N4 tetrahedra and corners with seven equivalent Fe(1)N4 tetrahedra. Ga(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form GaN4 tetrahedra that share corners with two equivalent Ga(1)N4 tetrahedra and corners with ten equivalent Fe(1)N4 tetrahedra. There are two inequivalent N sites. In the first 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)GaFe3 tetrahedra. In the second N site, N(1) is bonded to three equivalent Fe(1) and one Ga(1) atom to form NGaFe3 tetrahedra that share corners with five equivalent N(2)Ga2Fe2 tetrahedra and corners with seven equivalent N(1)GaFe3 tetrahedra. is represented by the CIF file [CIF]
data_GaFe2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.374
_cell_length_b   5.294
_cell_length_c   5.047
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.507
_symmetry_Int_Tables_number   1
_cell_volume   124.983
_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  0.000  0.666  0.503  1.0
  Ga  Ga1  1  0.000  0.334  0.003  1.0
  Fe  Fe2  1  0.354  0.342  0.488  1.0
  Fe  Fe3  1  0.646  0.988  0.488  1.0
  Fe  Fe4  1  0.646  0.658  0.988  1.0
  Fe  Fe5  1  0.354  0.012  0.988  1.0
  N  N6  1  0.337  0.327  0.852  1.0
  N  N7  1  0.663  0.991  0.852  1.0
  N  N8  1  0.663  0.673  0.352  1.0
  N  N9  1  0.337  0.009  0.352  1.0
  N  N10  1  0.000  0.685  0.888  1.0
  N  N11  1  0.000  0.315  0.388  1.0
[/CIF]
.