The material structure described by MoN crystallizes in the monoclinic C2/m space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(2) atoms. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Mo(3) and four equivalent Mo(2) atoms. In the second N site, N(2) is bonded to one Mo(1), two equivalent Mo(2), and two equivalent Mo(3) atoms to form distorted NMo5 trigonal bipyramids that share corners with two equivalent N(3)Mo4 tetrahedra,  an edgeedge with one N(3)Mo4 tetrahedra, edges with three equivalent N(2)Mo5 trigonal bipyramids, and  a faceface with one N(2)Mo5 trigonal bipyramid. In the third N site, N(3) is bonded to two equivalent Mo(1) and two equivalent Mo(2) atoms to form distorted NMo4 tetrahedra that share corners with four equivalent N(2)Mo5 trigonal bipyramids,  an edgeedge with one N(3)Mo4 tetrahedra, and edges with two equivalent N(2)Mo5 trigonal bipyramids. is represented by the CIF card [CIF]
data_MoN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.068
_cell_length_b   6.068
_cell_length_c   5.110
_cell_angle_alpha   82.972
_cell_angle_beta   82.972
_cell_angle_gamma   100.374
_symmetry_Int_Tables_number   1
_cell_volume   181.658
_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
  Mo  Mo0  1  0.875  0.875  0.768  1.0
  Mo  Mo1  1  0.125  0.125  0.232  1.0
  Mo  Mo2  1  0.399  0.025  0.727  1.0
  Mo  Mo3  1  0.025  0.399  0.727  1.0
  Mo  Mo4  1  0.516  0.516  0.740  1.0
  Mo  Mo5  1  0.601  0.975  0.273  1.0
  Mo  Mo6  1  0.975  0.601  0.273  1.0
  Mo  Mo7  1  0.483  0.483  0.260  1.0
  N  N8  1  0.314  0.686  0.500  1.0
  N  N9  1  0.686  0.314  0.500  1.0
  N  N10  1  0.200  0.458  0.050  1.0
  N  N11  1  0.542  0.800  0.950  1.0
  N  N12  1  0.131  0.869  0.000  1.0
  N  N13  1  0.458  0.200  0.050  1.0
  N  N14  1  0.869  0.131  0.000  1.0
  N  N15  1  0.800  0.542  0.950  1.0
[/CIF]
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The material structure described by MoN crystallizes in the monoclinic C2/m space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(2) atoms. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Mo(3) and four equivalent Mo(2) atoms. In the second N site, N(2) is bonded to one Mo(1), two equivalent Mo(2), and two equivalent Mo(3) atoms to form distorted NMo5 trigonal bipyramids that share corners with two equivalent N(3)Mo4 tetrahedra,  an edgeedge with one N(3)Mo4 tetrahedra, edges with three equivalent N(2)Mo5 trigonal bipyramids, and  a faceface with one N(2)Mo5 trigonal bipyramid. In the third N site, N(3) is bonded to two equivalent Mo(1) and two equivalent Mo(2) atoms to form distorted NMo4 tetrahedra that share corners with four equivalent N(2)Mo5 trigonal bipyramids,  an edgeedge with one N(3)Mo4 tetrahedra, and edges with two equivalent N(2)Mo5 trigonal bipyramids. is represented by the CIF card [CIF]
data_MoN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.068
_cell_length_b   6.068
_cell_length_c   5.110
_cell_angle_alpha   82.972
_cell_angle_beta   82.972
_cell_angle_gamma   100.374
_symmetry_Int_Tables_number   1
_cell_volume   181.658
_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
  Mo  Mo0  1  0.875  0.875  0.768  1.0
  Mo  Mo1  1  0.125  0.125  0.232  1.0
  Mo  Mo2  1  0.399  0.025  0.727  1.0
  Mo  Mo3  1  0.025  0.399  0.727  1.0
  Mo  Mo4  1  0.516  0.516  0.740  1.0
  Mo  Mo5  1  0.601  0.975  0.273  1.0
  Mo  Mo6  1  0.975  0.601  0.273  1.0
  Mo  Mo7  1  0.483  0.483  0.260  1.0
  N  N8  1  0.314  0.686  0.500  1.0
  N  N9  1  0.686  0.314  0.500  1.0
  N  N10  1  0.200  0.458  0.050  1.0
  N  N11  1  0.542  0.800  0.950  1.0
  N  N12  1  0.131  0.869  0.000  1.0
  N  N13  1  0.458  0.200  0.050  1.0
  N  N14  1  0.869  0.131  0.000  1.0
  N  N15  1  0.800  0.542  0.950  1.0
[/CIF]
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