The structure described by IrZn2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Ir(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form IrN4 tetrahedra that share corners with two equivalent Ir(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 Ir(1)N4 tetrahedra and corners with seven equivalent Zn(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ir(1) and three equivalent Zn(1) atoms to form NZn3Ir tetrahedra that share corners with five equivalent N(2)Zn2Ir2 tetrahedra and corners with seven equivalent N(1)Zn3Ir tetrahedra. In the second N site, N(2) is bonded to two equivalent Ir(1) and two equivalent Zn(1) atoms to form NZn2Ir2 tetrahedra that share corners with two equivalent N(2)Zn2Ir2 tetrahedra and corners with ten equivalent N(1)Zn3Ir tetrahedra. is represented by the CIF card [CIF]
data_Zn2IrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.724
_cell_length_b   5.655
_cell_length_c   5.366
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.605
_symmetry_Int_Tables_number   1
_cell_volume   151.008
_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
  Zn  Zn0  1  0.337  0.840  0.469  1.0
  Zn  Zn1  1  0.663  0.503  0.469  1.0
  Zn  Zn2  1  0.663  0.160  0.969  1.0
  Zn  Zn3  1  0.337  0.497  0.969  1.0
  Ir  Ir4  1  0.000  0.806  0.980  1.0
  Ir  Ir5  1  0.000  0.194  0.480  1.0
  N  N6  1  0.321  0.829  0.847  1.0
  N  N7  1  0.679  0.507  0.847  1.0
  N  N8  1  0.679  0.171  0.347  1.0
  N  N9  1  0.321  0.493  0.347  1.0
  N  N10  1  0.000  0.871  0.333  1.0
  N  N11  1  0.000  0.129  0.833  1.0
[/CIF]
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The structure described by IrZn2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Ir(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form IrN4 tetrahedra that share corners with two equivalent Ir(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 Ir(1)N4 tetrahedra and corners with seven equivalent Zn(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ir(1) and three equivalent Zn(1) atoms to form NZn3Ir tetrahedra that share corners with five equivalent N(2)Zn2Ir2 tetrahedra and corners with seven equivalent N(1)Zn3Ir tetrahedra. In the second N site, N(2) is bonded to two equivalent Ir(1) and two equivalent Zn(1) atoms to form NZn2Ir2 tetrahedra that share corners with two equivalent N(2)Zn2Ir2 tetrahedra and corners with ten equivalent N(1)Zn3Ir tetrahedra. is represented by the CIF card [CIF]
data_Zn2IrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.724
_cell_length_b   5.655
_cell_length_c   5.366
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.605
_symmetry_Int_Tables_number   1
_cell_volume   151.008
_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
  Zn  Zn0  1  0.337  0.840  0.469  1.0
  Zn  Zn1  1  0.663  0.503  0.469  1.0
  Zn  Zn2  1  0.663  0.160  0.969  1.0
  Zn  Zn3  1  0.337  0.497  0.969  1.0
  Ir  Ir4  1  0.000  0.806  0.980  1.0
  Ir  Ir5  1  0.000  0.194  0.480  1.0
  N  N6  1  0.321  0.829  0.847  1.0
  N  N7  1  0.679  0.507  0.847  1.0
  N  N8  1  0.679  0.171  0.347  1.0
  N  N9  1  0.321  0.493  0.347  1.0
  N  N10  1  0.000  0.871  0.333  1.0
  N  N11  1  0.000  0.129  0.833  1.0
[/CIF]
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