The material described by SrZrN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Sr(1) is bonded to six equivalent N(1) atoms to form distorted SrN6 octahedra that share corners with six equivalent Zr(1)N6 octahedra, edges with six equivalent Sr(1)N6 octahedra, and edges with six equivalent Zr(1)N6 octahedra. The corner-sharing octahedral tilt angles are 11°. Zr(1) is bonded to six equivalent N(1) atoms to form ZrN6 octahedra that share corners with six equivalent Sr(1)N6 octahedra, edges with six equivalent Sr(1)N6 octahedra, and edges with six equivalent Zr(1)N6 octahedra. The corner-sharing octahedral tilt angles are 11°. N(1) is bonded to three equivalent Sr(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NSr3Zr3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrZrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.235
_cell_length_b   6.235
_cell_length_c   6.235
_cell_angle_alpha   31.424
_cell_angle_beta   31.424
_cell_angle_gamma   31.424
_symmetry_Int_Tables_number   1
_cell_volume   58.474
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.767  0.767  0.767  1.0
  N  N3  1  0.233  0.233  0.233  1.0
[/CIF]
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The material described by SrZrN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Sr(1) is bonded to six equivalent N(1) atoms to form distorted SrN6 octahedra that share corners with six equivalent Zr(1)N6 octahedra, edges with six equivalent Sr(1)N6 octahedra, and edges with six equivalent Zr(1)N6 octahedra. The corner-sharing octahedral tilt angles are 11°. Zr(1) is bonded to six equivalent N(1) atoms to form ZrN6 octahedra that share corners with six equivalent Sr(1)N6 octahedra, edges with six equivalent Sr(1)N6 octahedra, and edges with six equivalent Zr(1)N6 octahedra. The corner-sharing octahedral tilt angles are 11°. N(1) is bonded to three equivalent Sr(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NSr3Zr3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrZrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.235
_cell_length_b   6.235
_cell_length_c   6.235
_cell_angle_alpha   31.424
_cell_angle_beta   31.424
_cell_angle_gamma   31.424
_symmetry_Int_Tables_number   1
_cell_volume   58.474
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.767  0.767  0.767  1.0
  N  N3  1  0.233  0.233  0.233  1.0
[/CIF]
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