The material described by SiGe2N4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Ge(1) is bonded to six equivalent N(1) atoms to form GeN6 octahedra that share corners with six equivalent Si(1)N4 tetrahedra and edges with six equivalent Ge(1)N6 octahedra. Si(1) is bonded to four equivalent N(1) atoms to form SiN4 tetrahedra that share corners with twelve equivalent Ge(1)N6 octahedra. The corner-sharing octahedral tilt angles are 56°. N(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ge(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si(GeN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.759
_cell_length_b   5.759
_cell_length_c   5.759
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   135.087
_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
  Si  Si0  1  0.500  0.500  0.500  1.0
  Si  Si1  1  0.750  0.750  0.750  1.0
  Ge  Ge2  1  0.625  0.125  0.125  1.0
  Ge  Ge3  1  0.125  0.625  0.125  1.0
  Ge  Ge4  1  0.125  0.125  0.625  1.0
  Ge  Ge5  1  0.125  0.125  0.125  1.0
  N  N6  1  0.885  0.372  0.372  1.0
  N  N7  1  0.372  0.885  0.372  1.0
  N  N8  1  0.372  0.372  0.885  1.0
  N  N9  1  0.372  0.372  0.372  1.0
  N  N10  1  0.365  0.878  0.878  1.0
  N  N11  1  0.878  0.365  0.878  1.0
  N  N12  1  0.878  0.878  0.365  1.0
  N  N13  1  0.878  0.878  0.878  1.0
[/CIF]
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The material described by SiGe2N4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Ge(1) is bonded to six equivalent N(1) atoms to form GeN6 octahedra that share corners with six equivalent Si(1)N4 tetrahedra and edges with six equivalent Ge(1)N6 octahedra. Si(1) is bonded to four equivalent N(1) atoms to form SiN4 tetrahedra that share corners with twelve equivalent Ge(1)N6 octahedra. The corner-sharing octahedral tilt angles are 56°. N(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ge(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si(GeN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.759
_cell_length_b   5.759
_cell_length_c   5.759
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   135.087
_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
  Si  Si0  1  0.500  0.500  0.500  1.0
  Si  Si1  1  0.750  0.750  0.750  1.0
  Ge  Ge2  1  0.625  0.125  0.125  1.0
  Ge  Ge3  1  0.125  0.625  0.125  1.0
  Ge  Ge4  1  0.125  0.125  0.625  1.0
  Ge  Ge5  1  0.125  0.125  0.125  1.0
  N  N6  1  0.885  0.372  0.372  1.0
  N  N7  1  0.372  0.885  0.372  1.0
  N  N8  1  0.372  0.372  0.885  1.0
  N  N9  1  0.372  0.372  0.372  1.0
  N  N10  1  0.365  0.878  0.878  1.0
  N  N11  1  0.878  0.365  0.878  1.0
  N  N12  1  0.878  0.878  0.365  1.0
  N  N13  1  0.878  0.878  0.878  1.0
[/CIF]
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