The material described by SrHfN2 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 Hf(1)N6 octahedra, edges with six equivalent Sr(1)N6 octahedra, and edges with six equivalent Hf(1)N6 octahedra. The corner-sharing octahedral tilt angles are 12°. Hf(1) is bonded to six equivalent N(1) atoms to form HfN6 octahedra that share corners with six equivalent Sr(1)N6 octahedra, edges with six equivalent Sr(1)N6 octahedra, and edges with six equivalent Hf(1)N6 octahedra. The corner-sharing octahedral tilt angles are 12°. N(1) is bonded to three equivalent Sr(1) and three equivalent Hf(1) atoms to form a mixture of edge and corner-sharing NSr3Hf3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_SrHfN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.357
_cell_length_b   3.357
_cell_length_c   6.231
_cell_angle_alpha   74.374
_cell_angle_beta   74.374
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   57.787
_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
  Hf  Hf1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.767  0.767  0.698  1.0
  N  N3  1  0.233  0.233  0.302  1.0
[/CIF]
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The material described by SrHfN2 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 Hf(1)N6 octahedra, edges with six equivalent Sr(1)N6 octahedra, and edges with six equivalent Hf(1)N6 octahedra. The corner-sharing octahedral tilt angles are 12°. Hf(1) is bonded to six equivalent N(1) atoms to form HfN6 octahedra that share corners with six equivalent Sr(1)N6 octahedra, edges with six equivalent Sr(1)N6 octahedra, and edges with six equivalent Hf(1)N6 octahedra. The corner-sharing octahedral tilt angles are 12°. N(1) is bonded to three equivalent Sr(1) and three equivalent Hf(1) atoms to form a mixture of edge and corner-sharing NSr3Hf3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_SrHfN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.357
_cell_length_b   3.357
_cell_length_c   6.231
_cell_angle_alpha   74.374
_cell_angle_beta   74.374
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   57.787
_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
  Hf  Hf1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.767  0.767  0.698  1.0
  N  N3  1  0.233  0.233  0.302  1.0
[/CIF]
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