The material structure described by TaN2 crystallizes in the hexagonal P6/mmm space group. The structure consists of one ammonia atom inside a Ta2N3 framework. In the Ta2N3 framework, Ta(1) is bonded to six equivalent N(2) atoms to form a mixture of distorted face, corner, and edge-sharing TaN6 pentagonal pyramids. N(2) is bonded in a square co-planar geometry to four equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.458
_cell_length_b   5.458
_cell_length_c   2.782
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   71.758
_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
  Ta  Ta0  1  0.667  0.333  0.500  1.0
  Ta  Ta1  1  0.333  0.667  0.500  1.0
  N  N2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.500  0.500  0.000  1.0
  N  N4  1  0.500  0.000  0.000  1.0
  N  N5  1  0.000  0.500  0.000  1.0
[/CIF]
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The material structure described by TaN2 crystallizes in the hexagonal P6/mmm space group. The structure consists of one ammonia atom inside a Ta2N3 framework. In the Ta2N3 framework, Ta(1) is bonded to six equivalent N(2) atoms to form a mixture of distorted face, corner, and edge-sharing TaN6 pentagonal pyramids. N(2) is bonded in a square co-planar geometry to four equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.458
_cell_length_b   5.458
_cell_length_c   2.782
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   71.758
_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
  Ta  Ta0  1  0.667  0.333  0.500  1.0
  Ta  Ta1  1  0.333  0.667  0.500  1.0
  N  N2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.500  0.500  0.000  1.0
  N  N4  1  0.500  0.000  0.000  1.0
  N  N5  1  0.000  0.500  0.000  1.0
[/CIF]
.