The material structure described by Ti2ZnN crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a rectangular see-saw-like geometry to one Zn(1) and four equivalent N(1) atoms. In the second Ti site, Ti(2) is bonded in an L-shaped geometry to six equivalent Zn(1) and two equivalent N(1) atoms. Zn(1) is bonded in a 11-coordinate geometry to one Ti(1), six equivalent Ti(2), and four equivalent Zn(1) atoms. N(1) is bonded to two equivalent Ti(2) and four equivalent Ti(1) atoms to form a mixture of edge and corner-sharing NTi6 octahedra. The corner-sharing octahedral tilt angles are 10°. is represented by the CIF card [CIF]
data_Ti2ZnN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.252
_cell_length_b   8.252
_cell_length_c   4.151
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   159.044
_symmetry_Int_Tables_number   1
_cell_volume   101.075
_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
  Ti  Ti0  1  0.789  0.211  0.250  1.0
  Ti  Ti1  1  0.211  0.789  0.750  1.0
  Ti  Ti2  1  0.612  0.388  0.250  1.0
  Ti  Ti3  1  0.388  0.612  0.750  1.0
  Zn  Zn4  1  0.960  0.040  0.250  1.0
  Zn  Zn5  1  0.040  0.960  0.750  1.0
  N  N6  1  0.200  0.800  0.250  1.0
  N  N7  1  0.800  0.200  0.750  1.0
[/CIF]
.
The material structure described by Ti2ZnN crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a rectangular see-saw-like geometry to one Zn(1) and four equivalent N(1) atoms. In the second Ti site, Ti(2) is bonded in an L-shaped geometry to six equivalent Zn(1) and two equivalent N(1) atoms. Zn(1) is bonded in a 11-coordinate geometry to one Ti(1), six equivalent Ti(2), and four equivalent Zn(1) atoms. N(1) is bonded to two equivalent Ti(2) and four equivalent Ti(1) atoms to form a mixture of edge and corner-sharing NTi6 octahedra. The corner-sharing octahedral tilt angles are 10°. is represented by the CIF card [CIF]
data_Ti2ZnN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.252
_cell_length_b   8.252
_cell_length_c   4.151
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   159.044
_symmetry_Int_Tables_number   1
_cell_volume   101.075
_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
  Ti  Ti0  1  0.789  0.211  0.250  1.0
  Ti  Ti1  1  0.211  0.789  0.750  1.0
  Ti  Ti2  1  0.612  0.388  0.250  1.0
  Ti  Ti3  1  0.388  0.612  0.750  1.0
  Zn  Zn4  1  0.960  0.040  0.250  1.0
  Zn  Zn5  1  0.040  0.960  0.750  1.0
  N  N6  1  0.200  0.800  0.250  1.0
  N  N7  1  0.800  0.200  0.750  1.0
[/CIF]
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