The material described by Na3AlN2 crystallizes in the cubic Ia-3 space group. Na(1) is bonded in a 3-coordinate geometry to one N(1) and three equivalent N(2) atoms. Al(1) is bonded to one N(1) and three equivalent N(2) atoms to form corner-sharing AlN4 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 Al(1) atoms. In the second N site, N(2) is bonded in a 8-coordinate geometry to six equivalent Na(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Na3AlN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.275
_cell_length_b   10.709
_cell_length_c   10.709
_cell_angle_alpha   90.000
_cell_angle_beta   125.264
_cell_angle_gamma   54.736
_symmetry_Int_Tables_number   1
_cell_volume   614.129
_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  0.191  0.068  0.960  1.0
  Na  Na1  1  0.809  0.759  0.540  1.0
  Na  Na2  1  0.809  0.432  0.769  1.0
  Na  Na3  1  0.191  0.741  0.731  1.0
  Na  Na4  1  0.271  0.769  0.299  1.0
  Na  Na5  1  0.729  0.731  0.028  1.0
  Na  Na6  1  0.271  0.960  0.472  1.0
  Na  Na7  1  0.729  0.540  0.201  1.0
  Na  Na8  1  0.673  0.028  0.741  1.0
  Na  Na9  1  0.673  0.299  0.432  1.0
  Na  Na10  1  0.327  0.201  0.759  1.0
  Na  Na11  1  0.327  0.472  0.068  1.0
  Na  Na12  1  0.809  0.932  0.040  1.0
  Na  Na13  1  0.191  0.241  0.460  1.0
  Na  Na14  1  0.191  0.568  0.231  1.0
  Na  Na15  1  0.809  0.259  0.269  1.0
  Na  Na16  1  0.729  0.231  0.701  1.0
  Na  Na17  1  0.271  0.269  0.972  1.0
  Na  Na18  1  0.729  0.040  0.528  1.0
  Na  Na19  1  0.271  0.460  0.799  1.0
  Na  Na20  1  0.327  0.972  0.259  1.0
  Na  Na21  1  0.327  0.701  0.568  1.0
  Na  Na22  1  0.673  0.799  0.241  1.0
  Na  Na23  1  0.673  0.528  0.932  1.0
  Al  Al24  1  0.210  0.000  0.710  1.0
  Al  Al25  1  0.790  0.710  0.790  1.0
  Al  Al26  1  0.790  0.500  0.500  1.0
  Al  Al27  1  0.210  0.790  0.000  1.0
  Al  Al28  1  0.790  0.000  0.290  1.0
  Al  Al29  1  0.210  0.290  0.210  1.0
  Al  Al30  1  0.210  0.500  0.500  1.0
  Al  Al31  1  0.790  0.210  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  0.928  0.750  1.0
  N  N37  1  0.500  0.572  0.250  1.0
  N  N38  1  0.000  0.250  0.678  1.0
  N  N39  1  0.000  0.750  0.822  1.0
  N  N40  1  0.645  0.678  0.572  1.0
  N  N41  1  0.355  0.822  0.928  1.0
  N  N42  1  0.500  0.072  0.250  1.0
  N  N43  1  0.500  0.428  0.750  1.0
  N  N44  1  0.000  0.750  0.322  1.0
  N  N45  1  0.000  0.250  0.178  1.0
  N  N46  1  0.355  0.322  0.428  1.0
  N  N47  1  0.645  0.178  0.072  1.0
[/CIF]
.
The material described by Na3AlN2 crystallizes in the cubic Ia-3 space group. Na(1) is bonded in a 3-coordinate geometry to one N(1) and three equivalent N(2) atoms. Al(1) is bonded to one N(1) and three equivalent N(2) atoms to form corner-sharing AlN4 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 Al(1) atoms. In the second N site, N(2) is bonded in a 8-coordinate geometry to six equivalent Na(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Na3AlN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.275
_cell_length_b   10.709
_cell_length_c   10.709
_cell_angle_alpha   90.000
_cell_angle_beta   125.264
_cell_angle_gamma   54.736
_symmetry_Int_Tables_number   1
_cell_volume   614.129
_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  0.191  0.068  0.960  1.0
  Na  Na1  1  0.809  0.759  0.540  1.0
  Na  Na2  1  0.809  0.432  0.769  1.0
  Na  Na3  1  0.191  0.741  0.731  1.0
  Na  Na4  1  0.271  0.769  0.299  1.0
  Na  Na5  1  0.729  0.731  0.028  1.0
  Na  Na6  1  0.271  0.960  0.472  1.0
  Na  Na7  1  0.729  0.540  0.201  1.0
  Na  Na8  1  0.673  0.028  0.741  1.0
  Na  Na9  1  0.673  0.299  0.432  1.0
  Na  Na10  1  0.327  0.201  0.759  1.0
  Na  Na11  1  0.327  0.472  0.068  1.0
  Na  Na12  1  0.809  0.932  0.040  1.0
  Na  Na13  1  0.191  0.241  0.460  1.0
  Na  Na14  1  0.191  0.568  0.231  1.0
  Na  Na15  1  0.809  0.259  0.269  1.0
  Na  Na16  1  0.729  0.231  0.701  1.0
  Na  Na17  1  0.271  0.269  0.972  1.0
  Na  Na18  1  0.729  0.040  0.528  1.0
  Na  Na19  1  0.271  0.460  0.799  1.0
  Na  Na20  1  0.327  0.972  0.259  1.0
  Na  Na21  1  0.327  0.701  0.568  1.0
  Na  Na22  1  0.673  0.799  0.241  1.0
  Na  Na23  1  0.673  0.528  0.932  1.0
  Al  Al24  1  0.210  0.000  0.710  1.0
  Al  Al25  1  0.790  0.710  0.790  1.0
  Al  Al26  1  0.790  0.500  0.500  1.0
  Al  Al27  1  0.210  0.790  0.000  1.0
  Al  Al28  1  0.790  0.000  0.290  1.0
  Al  Al29  1  0.210  0.290  0.210  1.0
  Al  Al30  1  0.210  0.500  0.500  1.0
  Al  Al31  1  0.790  0.210  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  0.928  0.750  1.0
  N  N37  1  0.500  0.572  0.250  1.0
  N  N38  1  0.000  0.250  0.678  1.0
  N  N39  1  0.000  0.750  0.822  1.0
  N  N40  1  0.645  0.678  0.572  1.0
  N  N41  1  0.355  0.822  0.928  1.0
  N  N42  1  0.500  0.072  0.250  1.0
  N  N43  1  0.500  0.428  0.750  1.0
  N  N44  1  0.000  0.750  0.322  1.0
  N  N45  1  0.000  0.250  0.178  1.0
  N  N46  1  0.355  0.322  0.428  1.0
  N  N47  1  0.645  0.178  0.072  1.0
[/CIF]
.