The material described by CuTaN2 crystallizes in the trigonal R-3m space group. Ta(1) is bonded to six equivalent N(1) atoms to form edge-sharing TaN6 octahedra. Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to three equivalent Ta(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing NTa3Cu tetrahedra. is represented by the CIF file [CIF]
data_TaCuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.125
_cell_length_b   6.125
_cell_length_c   6.125
_cell_angle_alpha   29.834
_cell_angle_beta   29.834
_cell_angle_gamma   29.834
_symmetry_Int_Tables_number   1
_cell_volume   50.363
_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
  Ta  Ta0  1  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  N  N2  1  0.894  0.894  0.894  1.0
  N  N3  1  0.106  0.106  0.106  1.0
[/CIF]
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The material described by CuTaN2 crystallizes in the trigonal R-3m space group. Ta(1) is bonded to six equivalent N(1) atoms to form edge-sharing TaN6 octahedra. Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to three equivalent Ta(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing NTa3Cu tetrahedra. is represented by the CIF file [CIF]
data_TaCuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.125
_cell_length_b   6.125
_cell_length_c   6.125
_cell_angle_alpha   29.834
_cell_angle_beta   29.834
_cell_angle_gamma   29.834
_symmetry_Int_Tables_number   1
_cell_volume   50.363
_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
  Ta  Ta0  1  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  N  N2  1  0.894  0.894  0.894  1.0
  N  N3  1  0.106  0.106  0.106  1.0
[/CIF]
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