The material structure described by Ge3N4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to six equivalent N(1) atoms to form GeN6 octahedra that share corners with six equivalent Ge(2)N4 tetrahedra and edges with six equivalent Ge(1)N6 octahedra. In the second Ge site, Ge(2) is bonded to four equivalent N(1) atoms to form corner-sharing GeN4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. N(1) is bonded to one Ge(2) and three equivalent Ge(1) atoms to form a mixture of distorted edge and corner-sharing NGe4 trigonal pyramids. is represented by the CIF file [CIF]
data_Ge3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.877
_cell_length_b   5.877
_cell_length_c   5.877
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   143.549
_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
  Ge  Ge0  1  0.125  0.125  0.125  1.0
  Ge  Ge1  1  0.625  0.125  0.125  1.0
  Ge  Ge2  1  0.125  0.125  0.625  1.0
  Ge  Ge3  1  0.125  0.625  0.125  1.0
  Ge  Ge4  1  0.500  0.500  0.500  1.0
  Ge  Ge5  1  0.750  0.750  0.750  1.0
  N  N6  1  0.883  0.351  0.883  1.0
  N  N7  1  0.367  0.367  0.899  1.0
  N  N8  1  0.367  0.367  0.367  1.0
  N  N9  1  0.899  0.367  0.367  1.0
  N  N10  1  0.883  0.883  0.883  1.0
  N  N11  1  0.351  0.883  0.883  1.0
  N  N12  1  0.367  0.899  0.367  1.0
  N  N13  1  0.883  0.883  0.351  1.0
[/CIF]
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The material structure described by Ge3N4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to six equivalent N(1) atoms to form GeN6 octahedra that share corners with six equivalent Ge(2)N4 tetrahedra and edges with six equivalent Ge(1)N6 octahedra. In the second Ge site, Ge(2) is bonded to four equivalent N(1) atoms to form corner-sharing GeN4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. N(1) is bonded to one Ge(2) and three equivalent Ge(1) atoms to form a mixture of distorted edge and corner-sharing NGe4 trigonal pyramids. is represented by the CIF file [CIF]
data_Ge3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.877
_cell_length_b   5.877
_cell_length_c   5.877
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   143.549
_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
  Ge  Ge0  1  0.125  0.125  0.125  1.0
  Ge  Ge1  1  0.625  0.125  0.125  1.0
  Ge  Ge2  1  0.125  0.125  0.625  1.0
  Ge  Ge3  1  0.125  0.625  0.125  1.0
  Ge  Ge4  1  0.500  0.500  0.500  1.0
  Ge  Ge5  1  0.750  0.750  0.750  1.0
  N  N6  1  0.883  0.351  0.883  1.0
  N  N7  1  0.367  0.367  0.899  1.0
  N  N8  1  0.367  0.367  0.367  1.0
  N  N9  1  0.899  0.367  0.367  1.0
  N  N10  1  0.883  0.883  0.883  1.0
  N  N11  1  0.351  0.883  0.883  1.0
  N  N12  1  0.367  0.899  0.367  1.0
  N  N13  1  0.883  0.883  0.351  1.0
[/CIF]
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