The material described by TiZnN2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. Ti(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form TiN4 tetrahedra that share corners with four equivalent Ti(1)N4 tetrahedra and corners with eight equivalent Zn(1)N4 tetrahedra. Zn(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form ZnN4 tetrahedra that share corners with four equivalent Zn(1)N4 tetrahedra and corners with eight equivalent Ti(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ti(1) and two equivalent Zn(1) atoms to form corner-sharing NTi2Zn2 tetrahedra. In the second N site, N(2) is bonded to two equivalent Ti(1) and two equivalent Zn(1) atoms to form corner-sharing NTi2Zn2 tetrahedra. is represented by the CIF card [CIF]
data_TiZnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.661
_cell_length_b   6.530
_cell_length_c   5.206
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.461
_cell_formula_units_Z   4
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
  Ti  Ti0  1  0.083  0.626  0.996  1.0
  Ti  Ti1  1  0.917  0.374  0.496  1.0
  Ti  Ti2  1  0.583  0.874  0.996  1.0
  Ti  Ti3  1  0.417  0.126  0.496  1.0
  Zn  Zn4  1  0.086  0.124  0.998  1.0
  Zn  Zn5  1  0.914  0.876  0.498  1.0
  Zn  Zn6  1  0.586  0.376  0.998  1.0
  Zn  Zn7  1  0.414  0.624  0.498  1.0
  N  N8  1  0.090  0.134  0.391  1.0
  N  N9  1  0.910  0.866  0.891  1.0
  N  N10  1  0.590  0.366  0.391  1.0
  N  N11  1  0.410  0.634  0.891  1.0
  N  N12  1  0.072  0.615  0.367  1.0
  N  N13  1  0.928  0.385  0.867  1.0
  N  N14  1  0.572  0.885  0.367  1.0
  N  N15  1  0.428  0.115  0.867  1.0
[/CIF]
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The material described by TiZnN2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. Ti(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form TiN4 tetrahedra that share corners with four equivalent Ti(1)N4 tetrahedra and corners with eight equivalent Zn(1)N4 tetrahedra. Zn(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form ZnN4 tetrahedra that share corners with four equivalent Zn(1)N4 tetrahedra and corners with eight equivalent Ti(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ti(1) and two equivalent Zn(1) atoms to form corner-sharing NTi2Zn2 tetrahedra. In the second N site, N(2) is bonded to two equivalent Ti(1) and two equivalent Zn(1) atoms to form corner-sharing NTi2Zn2 tetrahedra. is represented by the CIF card [CIF]
data_TiZnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.661
_cell_length_b   6.530
_cell_length_c   5.206
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.461
_cell_formula_units_Z   4
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
  Ti  Ti0  1  0.083  0.626  0.996  1.0
  Ti  Ti1  1  0.917  0.374  0.496  1.0
  Ti  Ti2  1  0.583  0.874  0.996  1.0
  Ti  Ti3  1  0.417  0.126  0.496  1.0
  Zn  Zn4  1  0.086  0.124  0.998  1.0
  Zn  Zn5  1  0.914  0.876  0.498  1.0
  Zn  Zn6  1  0.586  0.376  0.998  1.0
  Zn  Zn7  1  0.414  0.624  0.498  1.0
  N  N8  1  0.090  0.134  0.391  1.0
  N  N9  1  0.910  0.866  0.891  1.0
  N  N10  1  0.590  0.366  0.391  1.0
  N  N11  1  0.410  0.634  0.891  1.0
  N  N12  1  0.072  0.615  0.367  1.0
  N  N13  1  0.928  0.385  0.867  1.0
  N  N14  1  0.572  0.885  0.367  1.0
  N  N15  1  0.428  0.115  0.867  1.0
[/CIF]
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