The compound described by MoZnN2 is Ilmenite-like structured and crystallizes in the hexagonal P6_3mc space group. Mo(1) is bonded in a 6-coordinate geometry to three equivalent N(1) and three equivalent N(2) atoms. Zn(1) is bonded in a rectangular see-saw-like geometry to one N(1) and three equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to three equivalent Mo(1) and one Zn(1) atom. In the second N site, N(2) is bonded to three equivalent Mo(1) and three equivalent Zn(1) atoms to form distorted edge-sharing NZn3Mo3 pentagonal pyramids. is represented by the CIF file [CIF]
data_ZnMoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.919
_cell_length_b   2.919
_cell_length_c   11.431
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   84.344
_cell_formula_units_Z   2
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
  Zn  Zn0  1  0.667  0.333  0.337  1.0
  Zn  Zn1  1  1.000  0.000  0.837  1.0
  Mo  Mo2  1  0.667  0.333  0.108  1.0
  Mo  Mo3  1  0.000  1.000  0.608  1.0
  N  N4  1  0.000  1.000  0.002  1.0
  N  N5  1  1.000  0.000  0.224  1.0
  N  N6  1  0.667  0.333  0.502  1.0
  N  N7  1  0.667  0.333  0.724  1.0
[/CIF]
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The compound described by MoZnN2 is Ilmenite-like structured and crystallizes in the hexagonal P6_3mc space group. Mo(1) is bonded in a 6-coordinate geometry to three equivalent N(1) and three equivalent N(2) atoms. Zn(1) is bonded in a rectangular see-saw-like geometry to one N(1) and three equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to three equivalent Mo(1) and one Zn(1) atom. In the second N site, N(2) is bonded to three equivalent Mo(1) and three equivalent Zn(1) atoms to form distorted edge-sharing NZn3Mo3 pentagonal pyramids. is represented by the CIF file [CIF]
data_ZnMoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.919
_cell_length_b   2.919
_cell_length_c   11.431
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   84.344
_cell_formula_units_Z   2
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
  Zn  Zn0  1  0.667  0.333  0.337  1.0
  Zn  Zn1  1  1.000  0.000  0.837  1.0
  Mo  Mo2  1  0.667  0.333  0.108  1.0
  Mo  Mo3  1  0.000  1.000  0.608  1.0
  N  N4  1  0.000  1.000  0.002  1.0
  N  N5  1  1.000  0.000  0.224  1.0
  N  N6  1  0.667  0.333  0.502  1.0
  N  N7  1  0.667  0.333  0.724  1.0
[/CIF]
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