The compound described by FeGaN2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_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 four equivalent Fe(1)N4 tetrahedra and corners with eight equivalent Ga(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 four equivalent Ga(1)N4 tetrahedra and corners with eight equivalent Fe(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Fe(1) and two equivalent Ga(1) atoms to form corner-sharing NGa2Fe2 tetrahedra. In the second N site, N(2) is bonded to two equivalent Fe(1) and two equivalent Ga(1) atoms to form corner-sharing NGa2Fe2 tetrahedra. is represented by the CIF card [CIF]
data_GaFeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.427
_cell_length_b   6.286
_cell_length_c   5.101
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.017
_cell_formula_units_Z   4
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  0.587  0.377  0.006  1.0
  Ga  Ga1  1  0.413  0.623  0.506  1.0
  Ga  Ga2  1  0.913  0.877  0.506  1.0
  Ga  Ga3  1  0.087  0.123  0.006  1.0
  Fe  Fe4  1  0.573  0.875  0.002  1.0
  Fe  Fe5  1  0.427  0.125  0.502  1.0
  Fe  Fe6  1  0.927  0.375  0.502  1.0
  Fe  Fe7  1  0.073  0.625  0.002  1.0
  N  N8  1  0.597  0.368  0.396  1.0
  N  N9  1  0.403  0.632  0.896  1.0
  N  N10  1  0.903  0.868  0.896  1.0
  N  N11  1  0.097  0.132  0.396  1.0
  N  N12  1  0.577  0.878  0.366  1.0
  N  N13  1  0.423  0.122  0.866  1.0
  N  N14  1  0.923  0.378  0.866  1.0
  N  N15  1  0.077  0.622  0.366  1.0
[/CIF]
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The compound described by FeGaN2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_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 four equivalent Fe(1)N4 tetrahedra and corners with eight equivalent Ga(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 four equivalent Ga(1)N4 tetrahedra and corners with eight equivalent Fe(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Fe(1) and two equivalent Ga(1) atoms to form corner-sharing NGa2Fe2 tetrahedra. In the second N site, N(2) is bonded to two equivalent Fe(1) and two equivalent Ga(1) atoms to form corner-sharing NGa2Fe2 tetrahedra. is represented by the CIF card [CIF]
data_GaFeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.427
_cell_length_b   6.286
_cell_length_c   5.101
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.017
_cell_formula_units_Z   4
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  0.587  0.377  0.006  1.0
  Ga  Ga1  1  0.413  0.623  0.506  1.0
  Ga  Ga2  1  0.913  0.877  0.506  1.0
  Ga  Ga3  1  0.087  0.123  0.006  1.0
  Fe  Fe4  1  0.573  0.875  0.002  1.0
  Fe  Fe5  1  0.427  0.125  0.502  1.0
  Fe  Fe6  1  0.927  0.375  0.502  1.0
  Fe  Fe7  1  0.073  0.625  0.002  1.0
  N  N8  1  0.597  0.368  0.396  1.0
  N  N9  1  0.403  0.632  0.896  1.0
  N  N10  1  0.903  0.868  0.896  1.0
  N  N11  1  0.097  0.132  0.396  1.0
  N  N12  1  0.577  0.878  0.366  1.0
  N  N13  1  0.423  0.122  0.866  1.0
  N  N14  1  0.923  0.378  0.866  1.0
  N  N15  1  0.077  0.622  0.366  1.0
[/CIF]
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