The crystal structure described by Zr2N is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. Zr(1) is bonded in a distorted T-shaped geometry to three equivalent N(1) atoms. N(1) is bonded to six equivalent Zr(1) atoms to form a mixture of corner and edge-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 47°. is represented by the CIF card [CIF]
data_Zr2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.413
_cell_length_b   5.413
_cell_length_c   3.308
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   96.920
_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  0.296  0.296  0.000  1.0
  Zr  Zr1  1  0.704  0.704  0.000  1.0
  Zr  Zr2  1  0.796  0.204  0.500  1.0
  Zr  Zr3  1  0.204  0.796  0.500  1.0
  N  N4  1  0.000  0.000  0.000  1.0
  N  N5  1  0.500  0.500  0.500  1.0
[/CIF]
.
The crystal structure described by Zr2N is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. Zr(1) is bonded in a distorted T-shaped geometry to three equivalent N(1) atoms. N(1) is bonded to six equivalent Zr(1) atoms to form a mixture of corner and edge-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 47°. is represented by the CIF card [CIF]
data_Zr2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.413
_cell_length_b   5.413
_cell_length_c   3.308
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   96.920
_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  0.296  0.296  0.000  1.0
  Zr  Zr1  1  0.704  0.704  0.000  1.0
  Zr  Zr2  1  0.796  0.204  0.500  1.0
  Zr  Zr3  1  0.204  0.796  0.500  1.0
  N  N4  1  0.000  0.000  0.000  1.0
  N  N5  1  0.500  0.500  0.500  1.0
[/CIF]
.