The compound described by TaN crystallizes in the hexagonal P-62m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. In the second Ta site, Ta(2) is bonded to six equivalent N(1) atoms to form a mixture of distorted corner, edge, and face-sharing TaN6 pentagonal pyramids. N(1) is bonded to one Ta(1) and four equivalent Ta(2) atoms to form a mixture of distorted corner and edge-sharing NTa5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   5.208
_cell_length_c   2.915
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   68.479
_cell_formula_units_Z   3
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
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.333  0.667  0.500  1.0
  Ta  Ta2  1  0.667  0.333  0.500  1.0
  N  N3  1  0.392  0.000  0.000  1.0
  N  N4  1  0.608  0.608  0.000  1.0
  N  N5  1  0.000  0.392  0.000  1.0
[/CIF]
.
The compound described by TaN crystallizes in the hexagonal P-62m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. In the second Ta site, Ta(2) is bonded to six equivalent N(1) atoms to form a mixture of distorted corner, edge, and face-sharing TaN6 pentagonal pyramids. N(1) is bonded to one Ta(1) and four equivalent Ta(2) atoms to form a mixture of distorted corner and edge-sharing NTa5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   5.208
_cell_length_c   2.915
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   68.479
_cell_formula_units_Z   3
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
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.333  0.667  0.500  1.0
  Ta  Ta2  1  0.667  0.333  0.500  1.0
  N  N3  1  0.392  0.000  0.000  1.0
  N  N4  1  0.608  0.608  0.000  1.0
  N  N5  1  0.000  0.392  0.000  1.0
[/CIF]
.