The compound described by NiGeN2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Ni(1) is bonded to six equivalent N(1) atoms to form NiN6 octahedra that share corners with six equivalent Ge(1)N6 pentagonal pyramids, edges with six equivalent Ni(1)N6 octahedra, and edges with six equivalent Ge(1)N6 pentagonal pyramids. Ge(1) is bonded to six equivalent N(1) atoms to form distorted GeN6 pentagonal pyramids that share corners with six equivalent Ni(1)N6 octahedra, edges with six equivalent Ni(1)N6 octahedra, and edges with six equivalent Ge(1)N6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 2°. N(1) is bonded to three equivalent Ni(1) and three equivalent Ge(1) atoms to form a mixture of face, corner, and edge-sharing NNi3Ge3 octahedra. The corner-sharing octahedral tilt angles range from 0-46°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiGeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.922
_cell_length_b   2.922
_cell_length_c   10.263
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   75.873
_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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.000  0.000  0.500  1.0
  Ge  Ge2  1  0.667  0.333  0.250  1.0
  Ge  Ge3  1  0.333  0.667  0.750  1.0
  N  N4  1  0.667  0.333  0.879  1.0
  N  N5  1  0.333  0.667  0.121  1.0
  N  N6  1  0.333  0.667  0.379  1.0
  N  N7  1  0.667  0.333  0.621  1.0
[/CIF]
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The compound described by NiGeN2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Ni(1) is bonded to six equivalent N(1) atoms to form NiN6 octahedra that share corners with six equivalent Ge(1)N6 pentagonal pyramids, edges with six equivalent Ni(1)N6 octahedra, and edges with six equivalent Ge(1)N6 pentagonal pyramids. Ge(1) is bonded to six equivalent N(1) atoms to form distorted GeN6 pentagonal pyramids that share corners with six equivalent Ni(1)N6 octahedra, edges with six equivalent Ni(1)N6 octahedra, and edges with six equivalent Ge(1)N6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 2°. N(1) is bonded to three equivalent Ni(1) and three equivalent Ge(1) atoms to form a mixture of face, corner, and edge-sharing NNi3Ge3 octahedra. The corner-sharing octahedral tilt angles range from 0-46°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiGeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.922
_cell_length_b   2.922
_cell_length_c   10.263
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   75.873
_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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.000  0.000  0.500  1.0
  Ge  Ge2  1  0.667  0.333  0.250  1.0
  Ge  Ge3  1  0.333  0.667  0.750  1.0
  N  N4  1  0.667  0.333  0.879  1.0
  N  N5  1  0.333  0.667  0.121  1.0
  N  N6  1  0.333  0.667  0.379  1.0
  N  N7  1  0.667  0.333  0.621  1.0
[/CIF]
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