The structure described by UZrN2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. U(1) is bonded to six N(1,1) atoms to form UN6 octahedra that share corners with two equivalent Zr(1)N6 octahedra, corners with four equivalent U(1)N6 octahedra, edges with four equivalent U(1)N6 octahedra, and edges with eight equivalent Zr(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Zr(1) is bonded to six N(1,1) atoms to form ZrN6 octahedra that share corners with two equivalent U(1)N6 octahedra, corners with four equivalent Zr(1)N6 octahedra, edges with four equivalent Zr(1)N6 octahedra, and edges with eight equivalent U(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent U(1) and three equivalent Zr(1) atoms to form a mixture of corner and edge-sharing NZr3U3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second N site, N(1) is bonded to three equivalent U(1) and three equivalent Zr(1) atoms to form a mixture of corner and edge-sharing NZr3U3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrUN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.765
_cell_length_b   5.765
_cell_length_c   5.765
_cell_angle_alpha   131.732
_cell_angle_beta   131.732
_cell_angle_gamma   70.652
_symmetry_Int_Tables_number   1
_cell_volume   104.532
_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  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.750  0.250  0.500  1.0
  U  U2  1  0.500  0.500  0.000  1.0
  U  U3  1  0.250  0.750  0.500  1.0
  N  N4  1  0.753  0.753  0.000  1.0
  N  N5  1  0.247  0.247  0.000  1.0
  N  N6  1  0.997  0.497  0.500  1.0
  N  N7  1  0.503  0.003  0.500  1.0
[/CIF]
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The structure described by UZrN2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. U(1) is bonded to six N(1,1) atoms to form UN6 octahedra that share corners with two equivalent Zr(1)N6 octahedra, corners with four equivalent U(1)N6 octahedra, edges with four equivalent U(1)N6 octahedra, and edges with eight equivalent Zr(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Zr(1) is bonded to six N(1,1) atoms to form ZrN6 octahedra that share corners with two equivalent U(1)N6 octahedra, corners with four equivalent Zr(1)N6 octahedra, edges with four equivalent Zr(1)N6 octahedra, and edges with eight equivalent U(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent U(1) and three equivalent Zr(1) atoms to form a mixture of corner and edge-sharing NZr3U3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second N site, N(1) is bonded to three equivalent U(1) and three equivalent Zr(1) atoms to form a mixture of corner and edge-sharing NZr3U3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrUN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.765
_cell_length_b   5.765
_cell_length_c   5.765
_cell_angle_alpha   131.732
_cell_angle_beta   131.732
_cell_angle_gamma   70.652
_symmetry_Int_Tables_number   1
_cell_volume   104.532
_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  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.750  0.250  0.500  1.0
  U  U2  1  0.500  0.500  0.000  1.0
  U  U3  1  0.250  0.750  0.500  1.0
  N  N4  1  0.753  0.753  0.000  1.0
  N  N5  1  0.247  0.247  0.000  1.0
  N  N6  1  0.997  0.497  0.500  1.0
  N  N7  1  0.503  0.003  0.500  1.0
[/CIF]
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