The structure described by NbMoN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Nb(1) is bonded to six equivalent N(1) atoms to form NbN6 octahedra that share corners with six equivalent Mo(1)N6 octahedra, edges with six equivalent Nb(1)N6 octahedra, and edges with six equivalent Mo(1)N6 octahedra. The corner-sharing octahedral tilt angles are 1°. Mo(1) is bonded to six equivalent N(1) atoms to form MoN6 octahedra that share corners with six equivalent Nb(1)N6 octahedra, edges with six equivalent Nb(1)N6 octahedra, and edges with six equivalent Mo(1)N6 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to three equivalent Nb(1) and three equivalent Mo(1) atoms to form a mixture of edge and corner-sharing NNb3Mo3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbMoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.322
_cell_length_b   5.322
_cell_length_c   5.322
_cell_angle_alpha   34.334
_cell_angle_beta   34.334
_cell_angle_gamma   34.334
_symmetry_Int_Tables_number   1
_cell_volume   42.756
_cell_formula_units_Z   1
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
  Nb  Nb0  1  0.500  0.500  0.500  1.0
  Mo  Mo1  1  0.000  0.000  0.000  1.0
  N  N2  1  0.251  0.251  0.251  1.0
  N  N3  1  0.749  0.749  0.749  1.0
[/CIF]
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The structure described by NbMoN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Nb(1) is bonded to six equivalent N(1) atoms to form NbN6 octahedra that share corners with six equivalent Mo(1)N6 octahedra, edges with six equivalent Nb(1)N6 octahedra, and edges with six equivalent Mo(1)N6 octahedra. The corner-sharing octahedral tilt angles are 1°. Mo(1) is bonded to six equivalent N(1) atoms to form MoN6 octahedra that share corners with six equivalent Nb(1)N6 octahedra, edges with six equivalent Nb(1)N6 octahedra, and edges with six equivalent Mo(1)N6 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to three equivalent Nb(1) and three equivalent Mo(1) atoms to form a mixture of edge and corner-sharing NNb3Mo3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbMoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.322
_cell_length_b   5.322
_cell_length_c   5.322
_cell_angle_alpha   34.334
_cell_angle_beta   34.334
_cell_angle_gamma   34.334
_symmetry_Int_Tables_number   1
_cell_volume   42.756
_cell_formula_units_Z   1
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
  Nb  Nb0  1  0.500  0.500  0.500  1.0
  Mo  Mo1  1  0.000  0.000  0.000  1.0
  N  N2  1  0.251  0.251  0.251  1.0
  N  N3  1  0.749  0.749  0.749  1.0
[/CIF]
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