The compound described by HfTaN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Hf(1) is bonded to six equivalent N(1) atoms to form HfN6 octahedra that share corners with six equivalent Ta(1)N6 octahedra, edges with six equivalent Hf(1)N6 octahedra, and edges with six equivalent Ta(1)N6 octahedra. The corner-sharing octahedra are not tilted. Ta(1) is bonded to six equivalent N(1) atoms to form TaN6 octahedra that share corners with six equivalent Hf(1)N6 octahedra, edges with six equivalent Hf(1)N6 octahedra, and edges with six equivalent Ta(1)N6 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to three equivalent Hf(1) and three equivalent Ta(1) atoms to form a mixture of edge and corner-sharing NHf3Ta3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_HfTaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.451
_cell_length_b   5.451
_cell_length_c   5.451
_cell_angle_alpha   33.835
_cell_angle_beta   33.835
_cell_angle_gamma   33.835
_symmetry_Int_Tables_number   1
_cell_volume   44.757
_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
  Hf  Hf0  1  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.250  0.250  0.250  1.0
  N  N3  1  0.750  0.750  0.750  1.0
[/CIF]
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The compound described by HfTaN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Hf(1) is bonded to six equivalent N(1) atoms to form HfN6 octahedra that share corners with six equivalent Ta(1)N6 octahedra, edges with six equivalent Hf(1)N6 octahedra, and edges with six equivalent Ta(1)N6 octahedra. The corner-sharing octahedra are not tilted. Ta(1) is bonded to six equivalent N(1) atoms to form TaN6 octahedra that share corners with six equivalent Hf(1)N6 octahedra, edges with six equivalent Hf(1)N6 octahedra, and edges with six equivalent Ta(1)N6 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to three equivalent Hf(1) and three equivalent Ta(1) atoms to form a mixture of edge and corner-sharing NHf3Ta3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_HfTaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.451
_cell_length_b   5.451
_cell_length_c   5.451
_cell_angle_alpha   33.835
_cell_angle_beta   33.835
_cell_angle_gamma   33.835
_symmetry_Int_Tables_number   1
_cell_volume   44.757
_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
  Hf  Hf0  1  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.250  0.250  0.250  1.0
  N  N3  1  0.750  0.750  0.750  1.0
[/CIF]
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