The material structure described by Ge3N4 is Hausmannite-like structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing GeN4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 64-68°. In the second Ge site, Ge(2) is bonded to one N(1), one N(3), and four equivalent N(2) atoms to form distorted GeN6 octahedra that share corners with four equivalent Ge(2)N6 octahedra, corners with four equivalent Ge(3)N6 octahedra, corners with four equivalent Ge(1)N4 trigonal pyramids, edges with two equivalent Ge(3)N6 octahedra, and  an edgeedge with one Ge(1)N4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 49-55°. In the third Ge site, Ge(3) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form GeN6 octahedra that share corners with four equivalent Ge(2)N6 octahedra, corners with two equivalent Ge(1)N4 trigonal pyramids, edges with two equivalent Ge(2)N6 octahedra, edges with two equivalent Ge(3)N6 octahedra, and edges with two equivalent Ge(1)N4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 50-55°. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Ge(1), one Ge(2), and two equivalent Ge(3) atoms to form corner-sharing NGe4 tetrahedra. In the second N site, N(2) is bonded in a rectangular see-saw-like geometry to one Ge(1), one Ge(3), and two equivalent Ge(2) atoms. In the third N site, N(3) is bonded in a rectangular see-saw-like geometry to one Ge(1), one Ge(2), and two equivalent Ge(3) atoms. is represented by the CIF file [CIF]
data_Ge3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.897
_cell_length_b   5.954
_cell_length_c   10.108
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.693
_cell_formula_units_Z   4
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  0.551  0.750  0.096  1.0
  Ge  Ge1  1  0.949  0.750  0.596  1.0
  Ge  Ge2  1  0.051  0.250  0.404  1.0
  Ge  Ge3  1  0.511  0.250  0.221  1.0
  Ge  Ge4  1  0.500  0.000  0.500  1.0
  Ge  Ge5  1  0.489  0.750  0.779  1.0
  Ge  Ge6  1  0.449  0.250  0.904  1.0
  Ge  Ge7  1  0.000  0.000  0.000  1.0
  Ge  Ge8  1  0.011  0.750  0.279  1.0
  Ge  Ge9  1  0.989  0.250  0.721  1.0
  Ge  Ge10  1  0.000  0.500  0.000  1.0
  Ge  Ge11  1  0.500  0.500  0.500  1.0
  N  N12  1  0.679  0.250  0.405  1.0
  N  N13  1  0.759  0.504  0.662  1.0
  N  N14  1  0.741  0.504  0.162  1.0
  N  N15  1  0.257  0.250  0.069  1.0
  N  N16  1  0.743  0.750  0.931  1.0
  N  N17  1  0.759  0.996  0.662  1.0
  N  N18  1  0.243  0.250  0.569  1.0
  N  N19  1  0.741  0.996  0.162  1.0
  N  N20  1  0.259  0.004  0.838  1.0
  N  N21  1  0.757  0.750  0.431  1.0
  N  N22  1  0.821  0.250  0.905  1.0
  N  N23  1  0.179  0.750  0.095  1.0
  N  N24  1  0.259  0.496  0.838  1.0
  N  N25  1  0.321  0.750  0.595  1.0
  N  N26  1  0.241  0.004  0.338  1.0
  N  N27  1  0.241  0.496  0.338  1.0
[/CIF]
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The material structure described by Ge3N4 is Hausmannite-like structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing GeN4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 64-68°. In the second Ge site, Ge(2) is bonded to one N(1), one N(3), and four equivalent N(2) atoms to form distorted GeN6 octahedra that share corners with four equivalent Ge(2)N6 octahedra, corners with four equivalent Ge(3)N6 octahedra, corners with four equivalent Ge(1)N4 trigonal pyramids, edges with two equivalent Ge(3)N6 octahedra, and  an edgeedge with one Ge(1)N4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 49-55°. In the third Ge site, Ge(3) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form GeN6 octahedra that share corners with four equivalent Ge(2)N6 octahedra, corners with two equivalent Ge(1)N4 trigonal pyramids, edges with two equivalent Ge(2)N6 octahedra, edges with two equivalent Ge(3)N6 octahedra, and edges with two equivalent Ge(1)N4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 50-55°. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Ge(1), one Ge(2), and two equivalent Ge(3) atoms to form corner-sharing NGe4 tetrahedra. In the second N site, N(2) is bonded in a rectangular see-saw-like geometry to one Ge(1), one Ge(3), and two equivalent Ge(2) atoms. In the third N site, N(3) is bonded in a rectangular see-saw-like geometry to one Ge(1), one Ge(2), and two equivalent Ge(3) atoms. is represented by the CIF file [CIF]
data_Ge3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.897
_cell_length_b   5.954
_cell_length_c   10.108
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.693
_cell_formula_units_Z   4
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  0.551  0.750  0.096  1.0
  Ge  Ge1  1  0.949  0.750  0.596  1.0
  Ge  Ge2  1  0.051  0.250  0.404  1.0
  Ge  Ge3  1  0.511  0.250  0.221  1.0
  Ge  Ge4  1  0.500  0.000  0.500  1.0
  Ge  Ge5  1  0.489  0.750  0.779  1.0
  Ge  Ge6  1  0.449  0.250  0.904  1.0
  Ge  Ge7  1  0.000  0.000  0.000  1.0
  Ge  Ge8  1  0.011  0.750  0.279  1.0
  Ge  Ge9  1  0.989  0.250  0.721  1.0
  Ge  Ge10  1  0.000  0.500  0.000  1.0
  Ge  Ge11  1  0.500  0.500  0.500  1.0
  N  N12  1  0.679  0.250  0.405  1.0
  N  N13  1  0.759  0.504  0.662  1.0
  N  N14  1  0.741  0.504  0.162  1.0
  N  N15  1  0.257  0.250  0.069  1.0
  N  N16  1  0.743  0.750  0.931  1.0
  N  N17  1  0.759  0.996  0.662  1.0
  N  N18  1  0.243  0.250  0.569  1.0
  N  N19  1  0.741  0.996  0.162  1.0
  N  N20  1  0.259  0.004  0.838  1.0
  N  N21  1  0.757  0.750  0.431  1.0
  N  N22  1  0.821  0.250  0.905  1.0
  N  N23  1  0.179  0.750  0.095  1.0
  N  N24  1  0.259  0.496  0.838  1.0
  N  N25  1  0.321  0.750  0.595  1.0
  N  N26  1  0.241  0.004  0.338  1.0
  N  N27  1  0.241  0.496  0.338  1.0
[/CIF]
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