The structure described by Mo2N3 crystallizes in the triclinic P-1 space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form MoN4 tetrahedra that share corners with two equivalent Mo(3)N5 square pyramids and corners with three equivalent Mo(4)N4 trigonal pyramids. In the second Mo site, Mo(2) is bonded in a distorted see-saw-like geometry to one N(1), one N(3), one N(5), and one N(6) atom. In the third Mo site, Mo(3) is bonded to one N(3), one N(4), one N(5), and two equivalent N(6) atoms to form distorted MoN5 square pyramids that share corners with two equivalent Mo(1)N4 tetrahedra,  an edgeedge with one Mo(3)N5 square pyramid, and  an edgeedge with one Mo(4)N4 trigonal pyramid. In the fourth Mo site, Mo(4) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted MoN4 trigonal pyramids that share corners with three equivalent Mo(1)N4 tetrahedra and  an edgeedge with one Mo(3)N5 square pyramid. There are six inequivalent N sites. In the first N site, N(1) is bonded in a T-shaped geometry to one Mo(1), one Mo(2), and one Mo(4) atom. In the second N site, N(2) is bonded in a linear geometry to one Mo(1) and one Mo(4) atom. In the third N site, N(3) is bonded in a T-shaped geometry to one Mo(2), one Mo(3), and one Mo(4) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(3), and one Mo(4) atom. In the fifth N site, N(5) is bonded in a T-shaped geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the sixth N site, N(6) is bonded in a T-shaped geometry to one Mo(2) and two equivalent Mo(3) atoms. is represented by the CIF file [CIF]
data_Mo2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.816
_cell_length_b   6.125
_cell_length_c   10.354
_cell_angle_alpha   77.255
_cell_angle_beta   76.110
_cell_angle_gamma   86.125
_symmetry_Int_Tables_number   1
_cell_volume   349.247
_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
  Mo  Mo0  1  0.088  0.215  0.175  1.0
  Mo  Mo1  1  0.912  0.785  0.825  1.0
  Mo  Mo2  1  0.619  0.599  0.694  1.0
  Mo  Mo3  1  0.381  0.401  0.306  1.0
  Mo  Mo4  1  0.569  0.966  0.348  1.0
  Mo  Mo5  1  0.431  0.034  0.652  1.0
  Mo  Mo6  1  0.171  0.345  0.802  1.0
  Mo  Mo7  1  0.829  0.655  0.198  1.0
  N  N8  1  0.936  0.527  0.724  1.0
  N  N9  1  0.064  0.473  0.276  1.0
  N  N10  1  0.873  0.720  0.012  1.0
  N  N11  1  0.127  0.280  0.988  1.0
  N  N12  1  0.507  0.311  0.697  1.0
  N  N13  1  0.493  0.689  0.303  1.0
  N  N14  1  0.113  0.044  0.755  1.0
  N  N15  1  0.887  0.956  0.245  1.0
  N  N16  1  0.599  0.848  0.798  1.0
  N  N17  1  0.401  0.152  0.202  1.0
  N  N18  1  0.405  0.207  0.468  1.0
  N  N19  1  0.595  0.793  0.532  1.0
[/CIF]
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The structure described by Mo2N3 crystallizes in the triclinic P-1 space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form MoN4 tetrahedra that share corners with two equivalent Mo(3)N5 square pyramids and corners with three equivalent Mo(4)N4 trigonal pyramids. In the second Mo site, Mo(2) is bonded in a distorted see-saw-like geometry to one N(1), one N(3), one N(5), and one N(6) atom. In the third Mo site, Mo(3) is bonded to one N(3), one N(4), one N(5), and two equivalent N(6) atoms to form distorted MoN5 square pyramids that share corners with two equivalent Mo(1)N4 tetrahedra,  an edgeedge with one Mo(3)N5 square pyramid, and  an edgeedge with one Mo(4)N4 trigonal pyramid. In the fourth Mo site, Mo(4) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted MoN4 trigonal pyramids that share corners with three equivalent Mo(1)N4 tetrahedra and  an edgeedge with one Mo(3)N5 square pyramid. There are six inequivalent N sites. In the first N site, N(1) is bonded in a T-shaped geometry to one Mo(1), one Mo(2), and one Mo(4) atom. In the second N site, N(2) is bonded in a linear geometry to one Mo(1) and one Mo(4) atom. In the third N site, N(3) is bonded in a T-shaped geometry to one Mo(2), one Mo(3), and one Mo(4) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(3), and one Mo(4) atom. In the fifth N site, N(5) is bonded in a T-shaped geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the sixth N site, N(6) is bonded in a T-shaped geometry to one Mo(2) and two equivalent Mo(3) atoms. is represented by the CIF file [CIF]
data_Mo2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.816
_cell_length_b   6.125
_cell_length_c   10.354
_cell_angle_alpha   77.255
_cell_angle_beta   76.110
_cell_angle_gamma   86.125
_symmetry_Int_Tables_number   1
_cell_volume   349.247
_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
  Mo  Mo0  1  0.088  0.215  0.175  1.0
  Mo  Mo1  1  0.912  0.785  0.825  1.0
  Mo  Mo2  1  0.619  0.599  0.694  1.0
  Mo  Mo3  1  0.381  0.401  0.306  1.0
  Mo  Mo4  1  0.569  0.966  0.348  1.0
  Mo  Mo5  1  0.431  0.034  0.652  1.0
  Mo  Mo6  1  0.171  0.345  0.802  1.0
  Mo  Mo7  1  0.829  0.655  0.198  1.0
  N  N8  1  0.936  0.527  0.724  1.0
  N  N9  1  0.064  0.473  0.276  1.0
  N  N10  1  0.873  0.720  0.012  1.0
  N  N11  1  0.127  0.280  0.988  1.0
  N  N12  1  0.507  0.311  0.697  1.0
  N  N13  1  0.493  0.689  0.303  1.0
  N  N14  1  0.113  0.044  0.755  1.0
  N  N15  1  0.887  0.956  0.245  1.0
  N  N16  1  0.599  0.848  0.798  1.0
  N  N17  1  0.401  0.152  0.202  1.0
  N  N18  1  0.405  0.207  0.468  1.0
  N  N19  1  0.595  0.793  0.532  1.0
[/CIF]
.