The material structure described by ZrInN2 crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded in a 5-coordinate geometry to one N(2) and four equivalent N(1) atoms. In(1) is bonded to five equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing InN5 square pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to four equivalent Zr(1) atoms to form distorted NZr4 trigonal pyramids that share corners with four equivalent N(2)ZrIn5 octahedra, corners with four equivalent N(1)Zr4 trigonal pyramids, and edges with four equivalent N(1)Zr4 trigonal pyramids. The corner-sharing octahedral tilt angles are 65°. In the second N site, N(2) is bonded to one Zr(1) and five equivalent In(1) atoms to form distorted NZrIn5 octahedra that share corners with four equivalent N(2)ZrIn5 octahedra, corners with four equivalent N(1)Zr4 trigonal pyramids, and edges with eight equivalent N(2)ZrIn5 octahedra. The corner-sharing octahedral tilt angles are 4°. is represented by the CIF card [CIF]
data_ZrInN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.914
_cell_length_b   3.914
_cell_length_c   8.331
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   127.601
_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
  Zr  Zr0  1  0.750  0.750  0.608  1.0
  Zr  Zr1  1  0.250  0.250  0.392  1.0
  In  In2  1  0.750  0.750  0.126  1.0
  In  In3  1  0.250  0.250  0.874  1.0
  N  N4  1  0.750  0.250  0.500  1.0
  N  N5  1  0.250  0.750  0.500  1.0
  N  N6  1  0.750  0.750  0.861  1.0
  N  N7  1  0.250  0.250  0.139  1.0
[/CIF]
.
The material structure described by ZrInN2 crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded in a 5-coordinate geometry to one N(2) and four equivalent N(1) atoms. In(1) is bonded to five equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing InN5 square pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to four equivalent Zr(1) atoms to form distorted NZr4 trigonal pyramids that share corners with four equivalent N(2)ZrIn5 octahedra, corners with four equivalent N(1)Zr4 trigonal pyramids, and edges with four equivalent N(1)Zr4 trigonal pyramids. The corner-sharing octahedral tilt angles are 65°. In the second N site, N(2) is bonded to one Zr(1) and five equivalent In(1) atoms to form distorted NZrIn5 octahedra that share corners with four equivalent N(2)ZrIn5 octahedra, corners with four equivalent N(1)Zr4 trigonal pyramids, and edges with eight equivalent N(2)ZrIn5 octahedra. The corner-sharing octahedral tilt angles are 4°. is represented by the CIF card [CIF]
data_ZrInN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.914
_cell_length_b   3.914
_cell_length_c   8.331
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   127.601
_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
  Zr  Zr0  1  0.750  0.750  0.608  1.0
  Zr  Zr1  1  0.250  0.250  0.392  1.0
  In  In2  1  0.750  0.750  0.126  1.0
  In  In3  1  0.250  0.250  0.874  1.0
  N  N4  1  0.750  0.250  0.500  1.0
  N  N5  1  0.250  0.750  0.500  1.0
  N  N6  1  0.750  0.750  0.861  1.0
  N  N7  1  0.250  0.250  0.139  1.0
[/CIF]
.