The material described by Mo2N is Anatase structured and crystallizes in the tetragonal I4_1/amd space group. Mo(1) is bonded in a T-shaped geometry to three equivalent N(1) atoms. N(1) is bonded to six equivalent Mo(1) atoms to form a mixture of corner and edge-sharing NMo6 octahedra. The corner-sharing octahedral tilt angles are 6°. is represented by the CIF file [CIF]
data_Mo2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.256
_cell_length_b   4.256
_cell_length_c   4.986
_cell_angle_alpha   115.264
_cell_angle_beta   115.264
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   71.988
_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
  Mo  Mo0  1  0.362  0.112  0.724  1.0
  Mo  Mo1  1  0.112  0.362  0.224  1.0
  Mo  Mo2  1  0.888  0.638  0.776  1.0
  Mo  Mo3  1  0.638  0.888  0.276  1.0
  N  N4  1  0.625  0.375  0.250  1.0
  N  N5  1  0.375  0.625  0.750  1.0
[/CIF]
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The material described by Mo2N is Anatase structured and crystallizes in the tetragonal I4_1/amd space group. Mo(1) is bonded in a T-shaped geometry to three equivalent N(1) atoms. N(1) is bonded to six equivalent Mo(1) atoms to form a mixture of corner and edge-sharing NMo6 octahedra. The corner-sharing octahedral tilt angles are 6°. is represented by the CIF file [CIF]
data_Mo2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.256
_cell_length_b   4.256
_cell_length_c   4.986
_cell_angle_alpha   115.264
_cell_angle_beta   115.264
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   71.988
_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
  Mo  Mo0  1  0.362  0.112  0.724  1.0
  Mo  Mo1  1  0.112  0.362  0.224  1.0
  Mo  Mo2  1  0.888  0.638  0.776  1.0
  Mo  Mo3  1  0.638  0.888  0.276  1.0
  N  N4  1  0.625  0.375  0.250  1.0
  N  N5  1  0.375  0.625  0.750  1.0
[/CIF]
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