The compound described by Na3Mo2N5 crystallizes in the tetragonal I4_1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one N(1), one N(3), one N(4), and two equivalent N(2) atoms. In the second Na site, Na(2) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one N(4), and one N(5) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to two equivalent N(2), two equivalent N(3), and two equivalent N(5) atoms. In the fourth Na site, Na(4) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form corner-sharing MoN4 tetrahedra. In the second Mo site, Mo(2) is bonded to one N(2), one N(5), and two equivalent N(4) atoms to form corner-sharing MoN4 tetrahedra. There are five inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(2), one Na(4), and one Mo(1) atom. In the second N site, N(2) is bonded to one Na(3), one Na(4), two equivalent Na(1), and one Mo(2) atom to form distorted NNa4Mo trigonal bipyramids that share corners with two equivalent N(2)Na4Mo trigonal bipyramids, corners with three equivalent N(5)Na2Mo2 trigonal pyramids, and  an edgeedge with one N(2)Na4Mo trigonal bipyramid. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), and two equivalent Mo(1) atoms. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), and two equivalent Mo(2) atoms. In the fifth N site, N(5) is bonded to one Na(2), one Na(3), one Mo(1), and one Mo(2) atom to form distorted NNa2Mo2 trigonal pyramids that share corners with three equivalent N(2)Na4Mo trigonal bipyramids and  a cornercorner with one N(5)Na2Mo2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Mo2N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.625
_cell_length_b   9.625
_cell_length_c   9.625
_cell_angle_alpha   101.787
_cell_angle_beta   101.787
_cell_angle_gamma   126.260
_symmetry_Int_Tables_number   1
_cell_volume   641.307
_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
  Na  Na0  1  0.500  0.619  0.667  1.0
  Na  Na1  1  0.952  0.833  0.333  1.0
  Na  Na2  1  0.869  0.702  0.619  1.0
  Na  Na3  1  0.083  0.250  0.381  1.0
  Na  Na4  1  0.284  0.914  0.225  1.0
  Na  Na5  1  0.689  0.059  0.775  1.0
  Na  Na6  1  0.164  0.439  0.130  1.0
  Na  Na7  1  0.309  0.034  0.870  1.0
  Na  Na8  1  0.562  0.562  0.000  1.0
  Na  Na9  1  0.812  0.312  0.500  1.0
  Na  Na10  1  0.226  0.726  0.500  1.0
  Na  Na11  1  0.976  0.976  0.000  1.0
  Mo  Mo12  1  0.638  0.861  0.400  1.0
  Mo  Mo13  1  0.461  0.238  0.600  1.0
  Mo  Mo14  1  0.111  0.211  0.723  1.0
  Mo  Mo15  1  0.488  0.388  0.277  1.0
  Mo  Mo16  1  0.232  0.615  0.813  1.0
  Mo  Mo17  1  0.801  0.419  0.187  1.0
  Mo  Mo18  1  0.865  0.551  0.883  1.0
  Mo  Mo19  1  0.669  0.982  0.117  1.0
  N  N20  1  0.514  0.807  0.518  1.0
  N  N21  1  0.288  0.996  0.482  1.0
  N  N22  1  0.057  0.038  0.792  1.0
  N  N23  1  0.246  0.264  0.208  1.0
  N  N24  1  0.757  0.643  0.839  1.0
  N  N25  1  0.804  0.917  0.161  1.0
  N  N26  1  0.893  0.554  0.387  1.0
  N  N27  1  0.167  0.507  0.613  1.0
  N  N28  1  0.610  0.644  0.311  1.0
  N  N29  1  0.333  0.299  0.689  1.0
  N  N30  1  0.894  0.083  0.534  1.0
  N  N31  1  0.549  0.360  0.466  1.0
  N  N32  1  0.083  0.686  0.835  1.0
  N  N33  1  0.851  0.248  0.165  1.0
  N  N34  1  0.936  0.601  0.102  1.0
  N  N35  1  0.498  0.833  0.898  1.0
  N  N36  1  0.179  0.426  0.889  1.0
  N  N37  1  0.538  0.290  0.111  1.0
  N  N38  1  0.676  0.288  0.748  1.0
  N  N39  1  0.540  0.929  0.252  1.0
[/CIF]
.
The compound described by Na3Mo2N5 crystallizes in the tetragonal I4_1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one N(1), one N(3), one N(4), and two equivalent N(2) atoms. In the second Na site, Na(2) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one N(4), and one N(5) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to two equivalent N(2), two equivalent N(3), and two equivalent N(5) atoms. In the fourth Na site, Na(4) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form corner-sharing MoN4 tetrahedra. In the second Mo site, Mo(2) is bonded to one N(2), one N(5), and two equivalent N(4) atoms to form corner-sharing MoN4 tetrahedra. There are five inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(2), one Na(4), and one Mo(1) atom. In the second N site, N(2) is bonded to one Na(3), one Na(4), two equivalent Na(1), and one Mo(2) atom to form distorted NNa4Mo trigonal bipyramids that share corners with two equivalent N(2)Na4Mo trigonal bipyramids, corners with three equivalent N(5)Na2Mo2 trigonal pyramids, and  an edgeedge with one N(2)Na4Mo trigonal bipyramid. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), and two equivalent Mo(1) atoms. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), and two equivalent Mo(2) atoms. In the fifth N site, N(5) is bonded to one Na(2), one Na(3), one Mo(1), and one Mo(2) atom to form distorted NNa2Mo2 trigonal pyramids that share corners with three equivalent N(2)Na4Mo trigonal bipyramids and  a cornercorner with one N(5)Na2Mo2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Mo2N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.625
_cell_length_b   9.625
_cell_length_c   9.625
_cell_angle_alpha   101.787
_cell_angle_beta   101.787
_cell_angle_gamma   126.260
_symmetry_Int_Tables_number   1
_cell_volume   641.307
_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
  Na  Na0  1  0.500  0.619  0.667  1.0
  Na  Na1  1  0.952  0.833  0.333  1.0
  Na  Na2  1  0.869  0.702  0.619  1.0
  Na  Na3  1  0.083  0.250  0.381  1.0
  Na  Na4  1  0.284  0.914  0.225  1.0
  Na  Na5  1  0.689  0.059  0.775  1.0
  Na  Na6  1  0.164  0.439  0.130  1.0
  Na  Na7  1  0.309  0.034  0.870  1.0
  Na  Na8  1  0.562  0.562  0.000  1.0
  Na  Na9  1  0.812  0.312  0.500  1.0
  Na  Na10  1  0.226  0.726  0.500  1.0
  Na  Na11  1  0.976  0.976  0.000  1.0
  Mo  Mo12  1  0.638  0.861  0.400  1.0
  Mo  Mo13  1  0.461  0.238  0.600  1.0
  Mo  Mo14  1  0.111  0.211  0.723  1.0
  Mo  Mo15  1  0.488  0.388  0.277  1.0
  Mo  Mo16  1  0.232  0.615  0.813  1.0
  Mo  Mo17  1  0.801  0.419  0.187  1.0
  Mo  Mo18  1  0.865  0.551  0.883  1.0
  Mo  Mo19  1  0.669  0.982  0.117  1.0
  N  N20  1  0.514  0.807  0.518  1.0
  N  N21  1  0.288  0.996  0.482  1.0
  N  N22  1  0.057  0.038  0.792  1.0
  N  N23  1  0.246  0.264  0.208  1.0
  N  N24  1  0.757  0.643  0.839  1.0
  N  N25  1  0.804  0.917  0.161  1.0
  N  N26  1  0.893  0.554  0.387  1.0
  N  N27  1  0.167  0.507  0.613  1.0
  N  N28  1  0.610  0.644  0.311  1.0
  N  N29  1  0.333  0.299  0.689  1.0
  N  N30  1  0.894  0.083  0.534  1.0
  N  N31  1  0.549  0.360  0.466  1.0
  N  N32  1  0.083  0.686  0.835  1.0
  N  N33  1  0.851  0.248  0.165  1.0
  N  N34  1  0.936  0.601  0.102  1.0
  N  N35  1  0.498  0.833  0.898  1.0
  N  N36  1  0.179  0.426  0.889  1.0
  N  N37  1  0.538  0.290  0.111  1.0
  N  N38  1  0.676  0.288  0.748  1.0
  N  N39  1  0.540  0.929  0.252  1.0
[/CIF]
.