The material described by ZrMnN2 is Caswellsilverite structured and crystallizes in the monoclinic C2/m space group. Zr(1) is bonded to six equivalent N(1) atoms to form ZrN6 octahedra that share corners with six equivalent Mn(1)N6 octahedra, edges with six equivalent Zr(1)N6 octahedra, and edges with six equivalent Mn(1)N6 octahedra. The corner-sharing octahedral tilt angles are 6°. Mn(1) is bonded to six equivalent N(1) atoms to form MnN6 octahedra that share corners with six equivalent Zr(1)N6 octahedra, edges with six equivalent Zr(1)N6 octahedra, and edges with six equivalent Mn(1)N6 octahedra. The corner-sharing octahedral tilt angles are 6°. N(1) is bonded to three equivalent Zr(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing NZr3Mn3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_ZrMnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.160
_cell_length_b   4.965
_cell_length_c   13.848
_cell_angle_alpha   21.831
_cell_angle_beta   90.437
_cell_angle_gamma   71.643
_symmetry_Int_Tables_number   1
_cell_volume   40.405
_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
  Zr  Zr0  1  1.000  0.000  0.500  1.0
  Mn  Mn1  1  0.000  1.000  0.000  1.0
  N  N2  1  0.002  0.998  0.260  1.0
  N  N3  1  0.998  0.002  0.740  1.0
[/CIF]
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The material described by ZrMnN2 is Caswellsilverite structured and crystallizes in the monoclinic C2/m space group. Zr(1) is bonded to six equivalent N(1) atoms to form ZrN6 octahedra that share corners with six equivalent Mn(1)N6 octahedra, edges with six equivalent Zr(1)N6 octahedra, and edges with six equivalent Mn(1)N6 octahedra. The corner-sharing octahedral tilt angles are 6°. Mn(1) is bonded to six equivalent N(1) atoms to form MnN6 octahedra that share corners with six equivalent Zr(1)N6 octahedra, edges with six equivalent Zr(1)N6 octahedra, and edges with six equivalent Mn(1)N6 octahedra. The corner-sharing octahedral tilt angles are 6°. N(1) is bonded to three equivalent Zr(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing NZr3Mn3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_ZrMnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.160
_cell_length_b   4.965
_cell_length_c   13.848
_cell_angle_alpha   21.831
_cell_angle_beta   90.437
_cell_angle_gamma   71.643
_symmetry_Int_Tables_number   1
_cell_volume   40.405
_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
  Zr  Zr0  1  1.000  0.000  0.500  1.0
  Mn  Mn1  1  0.000  1.000  0.000  1.0
  N  N2  1  0.002  0.998  0.260  1.0
  N  N3  1  0.998  0.002  0.740  1.0
[/CIF]
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