The crystal structure described by TaZn2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Ta(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form TaN4 tetrahedra that share corners with two equivalent Ta(1)N4 tetrahedra and corners with ten equivalent Zn(1)N4 tetrahedra. Zn(1) is bonded to one N(2) and three equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with five equivalent Ta(1)N4 tetrahedra and corners with seven equivalent Zn(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Ta(1) and two equivalent Zn(1) atoms to form NTa2Zn2 tetrahedra that share corners with two equivalent N(2)Ta2Zn2 tetrahedra and corners with ten equivalent N(1)TaZn3 tetrahedra. In the second N site, N(1) is bonded to one Ta(1) and three equivalent Zn(1) atoms to form NTaZn3 tetrahedra that share corners with five equivalent N(2)Ta2Zn2 tetrahedra and corners with seven equivalent N(1)TaZn3 tetrahedra. is represented by the CIF file [CIF]
data_TaZn2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.684
_cell_length_b   5.741
_cell_length_c   5.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.333
_symmetry_Int_Tables_number   1
_cell_volume   151.890
_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  0.000  0.670  0.488  1.0
  Ta  Ta1  1  0.000  0.330  0.988  1.0
  Zn  Zn2  1  0.344  0.333  0.498  1.0
  Zn  Zn3  1  0.656  0.990  0.498  1.0
  Zn  Zn4  1  0.656  0.667  0.998  1.0
  Zn  Zn5  1  0.344  0.010  0.998  1.0
  N  N6  1  0.319  0.330  0.875  1.0
  N  N7  1  0.681  0.010  0.875  1.0
  N  N8  1  0.681  0.670  0.375  1.0
  N  N9  1  0.319  0.990  0.375  1.0
  N  N10  1  0.000  0.654  0.856  1.0
  N  N11  1  0.000  0.346  0.356  1.0
[/CIF]
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The crystal structure described by TaZn2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Ta(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form TaN4 tetrahedra that share corners with two equivalent Ta(1)N4 tetrahedra and corners with ten equivalent Zn(1)N4 tetrahedra. Zn(1) is bonded to one N(2) and three equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with five equivalent Ta(1)N4 tetrahedra and corners with seven equivalent Zn(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Ta(1) and two equivalent Zn(1) atoms to form NTa2Zn2 tetrahedra that share corners with two equivalent N(2)Ta2Zn2 tetrahedra and corners with ten equivalent N(1)TaZn3 tetrahedra. In the second N site, N(1) is bonded to one Ta(1) and three equivalent Zn(1) atoms to form NTaZn3 tetrahedra that share corners with five equivalent N(2)Ta2Zn2 tetrahedra and corners with seven equivalent N(1)TaZn3 tetrahedra. is represented by the CIF file [CIF]
data_TaZn2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.684
_cell_length_b   5.741
_cell_length_c   5.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.333
_symmetry_Int_Tables_number   1
_cell_volume   151.890
_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  0.000  0.670  0.488  1.0
  Ta  Ta1  1  0.000  0.330  0.988  1.0
  Zn  Zn2  1  0.344  0.333  0.498  1.0
  Zn  Zn3  1  0.656  0.990  0.498  1.0
  Zn  Zn4  1  0.656  0.667  0.998  1.0
  Zn  Zn5  1  0.344  0.010  0.998  1.0
  N  N6  1  0.319  0.330  0.875  1.0
  N  N7  1  0.681  0.010  0.875  1.0
  N  N8  1  0.681  0.670  0.375  1.0
  N  N9  1  0.319  0.990  0.375  1.0
  N  N10  1  0.000  0.654  0.856  1.0
  N  N11  1  0.000  0.346  0.356  1.0
[/CIF]
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