The material described by Na3GaN2 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. Ga(1) is bonded to one N(1) and three equivalent N(2) atoms to form corner-sharing GaN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted body-centered cubic geometry to six equivalent Na(1) and two equivalent Ga(1) atoms. In the second N site, N(2) is bonded in a 8-coordinate geometry to six equivalent Na(1) and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_Na3GaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.437
_cell_length_b   10.897
_cell_length_c   10.897
_cell_angle_alpha   90.000
_cell_angle_beta   125.264
_cell_angle_gamma   54.736
_symmetry_Int_Tables_number   1
_cell_volume   646.984
_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  0.198  0.058  0.963  1.0
  Na  Na1  1  0.802  0.756  0.537  1.0
  Na  Na2  1  0.802  0.442  0.765  1.0
  Na  Na3  1  0.198  0.744  0.735  1.0
  Na  Na4  1  0.272  0.765  0.293  1.0
  Na  Na5  1  0.728  0.735  0.021  1.0
  Na  Na6  1  0.272  0.963  0.479  1.0
  Na  Na7  1  0.728  0.537  0.207  1.0
  Na  Na8  1  0.686  0.021  0.744  1.0
  Na  Na9  1  0.686  0.293  0.442  1.0
  Na  Na10  1  0.314  0.207  0.756  1.0
  Na  Na11  1  0.314  0.479  0.058  1.0
  Na  Na12  1  0.802  0.942  0.037  1.0
  Na  Na13  1  0.198  0.244  0.463  1.0
  Na  Na14  1  0.198  0.558  0.235  1.0
  Na  Na15  1  0.802  0.256  0.265  1.0
  Na  Na16  1  0.728  0.235  0.707  1.0
  Na  Na17  1  0.272  0.265  0.979  1.0
  Na  Na18  1  0.728  0.037  0.521  1.0
  Na  Na19  1  0.272  0.463  0.793  1.0
  Na  Na20  1  0.314  0.979  0.256  1.0
  Na  Na21  1  0.314  0.707  0.558  1.0
  Na  Na22  1  0.686  0.793  0.244  1.0
  Na  Na23  1  0.686  0.521  0.942  1.0
  Ga  Ga24  1  0.214  0.000  0.714  1.0
  Ga  Ga25  1  0.786  0.714  0.786  1.0
  Ga  Ga26  1  0.786  0.500  0.500  1.0
  Ga  Ga27  1  0.214  0.786  0.000  1.0
  Ga  Ga28  1  0.786  0.000  0.286  1.0
  Ga  Ga29  1  0.214  0.286  0.214  1.0
  Ga  Ga30  1  0.214  0.500  0.500  1.0
  Ga  Ga31  1  0.786  0.214  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  0.941  0.750  1.0
  N  N37  1  0.500  0.559  0.250  1.0
  N  N38  1  0.000  0.250  0.691  1.0
  N  N39  1  0.000  0.750  0.809  1.0
  N  N40  1  0.618  0.691  0.559  1.0
  N  N41  1  0.382  0.809  0.941  1.0
  N  N42  1  0.500  0.059  0.250  1.0
  N  N43  1  0.500  0.441  0.750  1.0
  N  N44  1  0.000  0.750  0.309  1.0
  N  N45  1  0.000  0.250  0.191  1.0
  N  N46  1  0.382  0.309  0.441  1.0
  N  N47  1  0.618  0.191  0.059  1.0
[/CIF]
.
The material described by Na3GaN2 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. Ga(1) is bonded to one N(1) and three equivalent N(2) atoms to form corner-sharing GaN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted body-centered cubic geometry to six equivalent Na(1) and two equivalent Ga(1) atoms. In the second N site, N(2) is bonded in a 8-coordinate geometry to six equivalent Na(1) and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_Na3GaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.437
_cell_length_b   10.897
_cell_length_c   10.897
_cell_angle_alpha   90.000
_cell_angle_beta   125.264
_cell_angle_gamma   54.736
_symmetry_Int_Tables_number   1
_cell_volume   646.984
_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  0.198  0.058  0.963  1.0
  Na  Na1  1  0.802  0.756  0.537  1.0
  Na  Na2  1  0.802  0.442  0.765  1.0
  Na  Na3  1  0.198  0.744  0.735  1.0
  Na  Na4  1  0.272  0.765  0.293  1.0
  Na  Na5  1  0.728  0.735  0.021  1.0
  Na  Na6  1  0.272  0.963  0.479  1.0
  Na  Na7  1  0.728  0.537  0.207  1.0
  Na  Na8  1  0.686  0.021  0.744  1.0
  Na  Na9  1  0.686  0.293  0.442  1.0
  Na  Na10  1  0.314  0.207  0.756  1.0
  Na  Na11  1  0.314  0.479  0.058  1.0
  Na  Na12  1  0.802  0.942  0.037  1.0
  Na  Na13  1  0.198  0.244  0.463  1.0
  Na  Na14  1  0.198  0.558  0.235  1.0
  Na  Na15  1  0.802  0.256  0.265  1.0
  Na  Na16  1  0.728  0.235  0.707  1.0
  Na  Na17  1  0.272  0.265  0.979  1.0
  Na  Na18  1  0.728  0.037  0.521  1.0
  Na  Na19  1  0.272  0.463  0.793  1.0
  Na  Na20  1  0.314  0.979  0.256  1.0
  Na  Na21  1  0.314  0.707  0.558  1.0
  Na  Na22  1  0.686  0.793  0.244  1.0
  Na  Na23  1  0.686  0.521  0.942  1.0
  Ga  Ga24  1  0.214  0.000  0.714  1.0
  Ga  Ga25  1  0.786  0.714  0.786  1.0
  Ga  Ga26  1  0.786  0.500  0.500  1.0
  Ga  Ga27  1  0.214  0.786  0.000  1.0
  Ga  Ga28  1  0.786  0.000  0.286  1.0
  Ga  Ga29  1  0.214  0.286  0.214  1.0
  Ga  Ga30  1  0.214  0.500  0.500  1.0
  Ga  Ga31  1  0.786  0.214  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  0.941  0.750  1.0
  N  N37  1  0.500  0.559  0.250  1.0
  N  N38  1  0.000  0.250  0.691  1.0
  N  N39  1  0.000  0.750  0.809  1.0
  N  N40  1  0.618  0.691  0.559  1.0
  N  N41  1  0.382  0.809  0.941  1.0
  N  N42  1  0.500  0.059  0.250  1.0
  N  N43  1  0.500  0.441  0.750  1.0
  N  N44  1  0.000  0.750  0.309  1.0
  N  N45  1  0.000  0.250  0.191  1.0
  N  N46  1  0.382  0.309  0.441  1.0
  N  N47  1  0.618  0.191  0.059  1.0
[/CIF]
.