The material structure described by Na3FeN2 crystallizes in the cubic Ia-3 space group. Na(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. Fe(1) is bonded to one N(1) and three equivalent N(2) atoms to form corner-sharing FeN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted hexagonal bipyramidal geometry to six equivalent Na(1) and two equivalent Fe(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to four equivalent Na(1) and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3FeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.424
_cell_length_b   10.882
_cell_length_c   10.882
_cell_angle_alpha   90.000
_cell_angle_beta   125.264
_cell_angle_gamma   54.736
_symmetry_Int_Tables_number   1
_cell_volume   644.301
_cell_formula_units_Z   8
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
  Na  Na0  1  0.188  0.065  0.954  1.0
  Na  Na1  1  0.812  0.753  0.546  1.0
  Na  Na2  1  0.812  0.435  0.766  1.0
  Na  Na3  1  0.188  0.747  0.734  1.0
  Na  Na4  1  0.279  0.766  0.298  1.0
  Na  Na5  1  0.721  0.734  0.019  1.0
  Na  Na6  1  0.279  0.954  0.481  1.0
  Na  Na7  1  0.721  0.546  0.202  1.0
  Na  Na8  1  0.683  0.019  0.747  1.0
  Na  Na9  1  0.683  0.298  0.435  1.0
  Na  Na10  1  0.317  0.202  0.753  1.0
  Na  Na11  1  0.317  0.481  0.065  1.0
  Na  Na12  1  0.812  0.935  0.046  1.0
  Na  Na13  1  0.188  0.247  0.454  1.0
  Na  Na14  1  0.188  0.565  0.234  1.0
  Na  Na15  1  0.812  0.253  0.266  1.0
  Na  Na16  1  0.721  0.234  0.702  1.0
  Na  Na17  1  0.279  0.266  0.981  1.0
  Na  Na18  1  0.721  0.046  0.519  1.0
  Na  Na19  1  0.279  0.454  0.798  1.0
  Na  Na20  1  0.317  0.981  0.253  1.0
  Na  Na21  1  0.317  0.702  0.565  1.0
  Na  Na22  1  0.683  0.798  0.247  1.0
  Na  Na23  1  0.683  0.519  0.935  1.0
  Fe  Fe24  1  0.211  0.000  0.711  1.0
  Fe  Fe25  1  0.789  0.711  0.789  1.0
  Fe  Fe26  1  0.789  0.500  0.500  1.0
  Fe  Fe27  1  0.211  0.789  0.000  1.0
  Fe  Fe28  1  0.789  0.000  0.289  1.0
  Fe  Fe29  1  0.211  0.289  0.211  1.0
  Fe  Fe30  1  0.211  0.500  0.500  1.0
  Fe  Fe31  1  0.789  0.211  0.000  1.0
  N  N32  1  0.000  0.000  0.500  1.0
  N  N33  1  0.000  0.500  0.000  1.0
  N  N34  1  0.000  0.500  0.500  1.0
  N  N35  1  0.000  0.000  0.000  1.0
  N  N36  1  0.500  0.930  0.750  1.0
  N  N37  1  0.500  0.570  0.250  1.0
  N  N38  1  0.000  0.250  0.680  1.0
  N  N39  1  0.000  0.750  0.820  1.0
  N  N40  1  0.641  0.680  0.570  1.0
  N  N41  1  0.359  0.820  0.930  1.0
  N  N42  1  0.500  0.070  0.250  1.0
  N  N43  1  0.500  0.430  0.750  1.0
  N  N44  1  0.000  0.750  0.320  1.0
  N  N45  1  0.000  0.250  0.180  1.0
  N  N46  1  0.359  0.320  0.430  1.0
  N  N47  1  0.641  0.180  0.070  1.0
[/CIF]
.
The material structure described by Na3FeN2 crystallizes in the cubic Ia-3 space group. Na(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. Fe(1) is bonded to one N(1) and three equivalent N(2) atoms to form corner-sharing FeN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted hexagonal bipyramidal geometry to six equivalent Na(1) and two equivalent Fe(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to four equivalent Na(1) and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3FeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.424
_cell_length_b   10.882
_cell_length_c   10.882
_cell_angle_alpha   90.000
_cell_angle_beta   125.264
_cell_angle_gamma   54.736
_symmetry_Int_Tables_number   1
_cell_volume   644.301
_cell_formula_units_Z   8
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
  Na  Na0  1  0.188  0.065  0.954  1.0
  Na  Na1  1  0.812  0.753  0.546  1.0
  Na  Na2  1  0.812  0.435  0.766  1.0
  Na  Na3  1  0.188  0.747  0.734  1.0
  Na  Na4  1  0.279  0.766  0.298  1.0
  Na  Na5  1  0.721  0.734  0.019  1.0
  Na  Na6  1  0.279  0.954  0.481  1.0
  Na  Na7  1  0.721  0.546  0.202  1.0
  Na  Na8  1  0.683  0.019  0.747  1.0
  Na  Na9  1  0.683  0.298  0.435  1.0
  Na  Na10  1  0.317  0.202  0.753  1.0
  Na  Na11  1  0.317  0.481  0.065  1.0
  Na  Na12  1  0.812  0.935  0.046  1.0
  Na  Na13  1  0.188  0.247  0.454  1.0
  Na  Na14  1  0.188  0.565  0.234  1.0
  Na  Na15  1  0.812  0.253  0.266  1.0
  Na  Na16  1  0.721  0.234  0.702  1.0
  Na  Na17  1  0.279  0.266  0.981  1.0
  Na  Na18  1  0.721  0.046  0.519  1.0
  Na  Na19  1  0.279  0.454  0.798  1.0
  Na  Na20  1  0.317  0.981  0.253  1.0
  Na  Na21  1  0.317  0.702  0.565  1.0
  Na  Na22  1  0.683  0.798  0.247  1.0
  Na  Na23  1  0.683  0.519  0.935  1.0
  Fe  Fe24  1  0.211  0.000  0.711  1.0
  Fe  Fe25  1  0.789  0.711  0.789  1.0
  Fe  Fe26  1  0.789  0.500  0.500  1.0
  Fe  Fe27  1  0.211  0.789  0.000  1.0
  Fe  Fe28  1  0.789  0.000  0.289  1.0
  Fe  Fe29  1  0.211  0.289  0.211  1.0
  Fe  Fe30  1  0.211  0.500  0.500  1.0
  Fe  Fe31  1  0.789  0.211  0.000  1.0
  N  N32  1  0.000  0.000  0.500  1.0
  N  N33  1  0.000  0.500  0.000  1.0
  N  N34  1  0.000  0.500  0.500  1.0
  N  N35  1  0.000  0.000  0.000  1.0
  N  N36  1  0.500  0.930  0.750  1.0
  N  N37  1  0.500  0.570  0.250  1.0
  N  N38  1  0.000  0.250  0.680  1.0
  N  N39  1  0.000  0.750  0.820  1.0
  N  N40  1  0.641  0.680  0.570  1.0
  N  N41  1  0.359  0.820  0.930  1.0
  N  N42  1  0.500  0.070  0.250  1.0
  N  N43  1  0.500  0.430  0.750  1.0
  N  N44  1  0.000  0.750  0.320  1.0
  N  N45  1  0.000  0.250  0.180  1.0
  N  N46  1  0.359  0.320  0.430  1.0
  N  N47  1  0.641  0.180  0.070  1.0
[/CIF]
.