The structure described by Ba4GeN4 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one N(2), two equivalent N(1), and two equivalent N(3) atoms. In the second Ba site, Ba(2) is bonded to one N(3), two equivalent N(2), and three equivalent N(4) atoms to form BaN6 octahedra that share  a cornercorner with one Ba(3)N5 trigonal bipyramid, edges with four equivalent Ba(2)N6 octahedra, and edges with two equivalent Ba(3)N5 trigonal bipyramids. In the third Ba site, Ba(3) is bonded to one N(4), two equivalent N(1), and two equivalent N(3) atoms to form distorted BaN5 trigonal bipyramids that share  a cornercorner with one Ba(2)N6 octahedra, edges with two equivalent Ba(2)N6 octahedra, and edges with two equivalent Ba(3)N5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 10°. In the fourth Ba site, Ba(4) is bonded in a distorted rectangular see-saw-like geometry to one N(2), one N(3), and two equivalent N(4) atoms. Ge(1) is bonded in a bent 150 degrees geometry to one N(1) and one N(2) atom. There are four inequivalent N sites. In the first N site, N(4) is bonded to one Ba(3), two equivalent Ba(4), and three equivalent Ba(2) atoms to form NBa6 octahedra that share corners with three equivalent N(3)Ba6 octahedra, corners with two equivalent N(2)Ba4Ge trigonal bipyramids, edges with two equivalent N(3)Ba6 octahedra, edges with four equivalent N(4)Ba6 octahedra, and edges with three equivalent N(2)Ba4Ge trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-57°. In the second N site, N(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), and one Ge(1) atom. In the third N site, N(2) is bonded to one Ba(1), one Ba(4), two equivalent Ba(2), and one Ge(1) atom to form distorted NBa4Ge trigonal bipyramids that share  a cornercorner with one N(3)Ba6 octahedra, corners with two equivalent N(4)Ba6 octahedra, corners with two equivalent N(2)Ba4Ge trigonal bipyramids, edges with two equivalent N(3)Ba6 octahedra, and edges with three equivalent N(4)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 6-62°. In the fourth N site, N(3) is bonded to one Ba(2), one Ba(4), two equivalent Ba(1), and two equivalent Ba(3) atoms to form NBa6 octahedra that share corners with three equivalent N(4)Ba6 octahedra,  a cornercorner with one N(2)Ba4Ge trigonal bipyramid, edges with two equivalent N(3)Ba6 octahedra, edges with two equivalent N(4)Ba6 octahedra, and edges with two equivalent N(2)Ba4Ge trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-57°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4GeN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.860
_cell_length_b   4.023
_cell_length_c   17.184
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   889.025
_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
  Ba  Ba0  1  0.615  0.250  0.876  1.0
  Ba  Ba1  1  0.115  0.250  0.624  1.0
  Ba  Ba2  1  0.385  0.750  0.124  1.0
  Ba  Ba3  1  0.885  0.750  0.376  1.0
  Ba  Ba4  1  0.625  0.250  0.462  1.0
  Ba  Ba5  1  0.125  0.250  0.038  1.0
  Ba  Ba6  1  0.375  0.750  0.538  1.0
  Ba  Ba7  1  0.875  0.750  0.962  1.0
  Ba  Ba8  1  0.868  0.250  0.766  1.0
  Ba  Ba9  1  0.368  0.250  0.734  1.0
  Ba  Ba10  1  0.132  0.750  0.234  1.0
  Ba  Ba11  1  0.632  0.750  0.266  1.0
  Ba  Ba12  1  0.872  0.250  0.163  1.0
  Ba  Ba13  1  0.372  0.250  0.337  1.0
  Ba  Ba14  1  0.128  0.750  0.837  1.0
  Ba  Ba15  1  0.628  0.750  0.663  1.0
  Ge  Ge16  1  0.620  0.250  0.073  1.0
  Ge  Ge17  1  0.120  0.250  0.427  1.0
  Ge  Ge18  1  0.380  0.750  0.927  1.0
  Ge  Ge19  1  0.880  0.750  0.573  1.0
  N  N20  1  0.554  0.250  0.161  1.0
  N  N21  1  0.054  0.250  0.339  1.0
  N  N22  1  0.446  0.750  0.839  1.0
  N  N23  1  0.946  0.750  0.661  1.0
  N  N24  1  0.737  0.250  0.021  1.0
  N  N25  1  0.237  0.250  0.479  1.0
  N  N26  1  0.263  0.750  0.979  1.0
  N  N27  1  0.763  0.750  0.521  1.0
  N  N28  1  0.772  0.250  0.309  1.0
  N  N29  1  0.272  0.250  0.191  1.0
  N  N30  1  0.228  0.750  0.691  1.0
  N  N31  1  0.728  0.750  0.809  1.0
  N  N32  1  0.005  0.250  0.886  1.0
  N  N33  1  0.505  0.250  0.614  1.0
  N  N34  1  0.995  0.750  0.114  1.0
  N  N35  1  0.495  0.750  0.386  1.0
[/CIF]
.
The structure described by Ba4GeN4 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one N(2), two equivalent N(1), and two equivalent N(3) atoms. In the second Ba site, Ba(2) is bonded to one N(3), two equivalent N(2), and three equivalent N(4) atoms to form BaN6 octahedra that share  a cornercorner with one Ba(3)N5 trigonal bipyramid, edges with four equivalent Ba(2)N6 octahedra, and edges with two equivalent Ba(3)N5 trigonal bipyramids. In the third Ba site, Ba(3) is bonded to one N(4), two equivalent N(1), and two equivalent N(3) atoms to form distorted BaN5 trigonal bipyramids that share  a cornercorner with one Ba(2)N6 octahedra, edges with two equivalent Ba(2)N6 octahedra, and edges with two equivalent Ba(3)N5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 10°. In the fourth Ba site, Ba(4) is bonded in a distorted rectangular see-saw-like geometry to one N(2), one N(3), and two equivalent N(4) atoms. Ge(1) is bonded in a bent 150 degrees geometry to one N(1) and one N(2) atom. There are four inequivalent N sites. In the first N site, N(4) is bonded to one Ba(3), two equivalent Ba(4), and three equivalent Ba(2) atoms to form NBa6 octahedra that share corners with three equivalent N(3)Ba6 octahedra, corners with two equivalent N(2)Ba4Ge trigonal bipyramids, edges with two equivalent N(3)Ba6 octahedra, edges with four equivalent N(4)Ba6 octahedra, and edges with three equivalent N(2)Ba4Ge trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-57°. In the second N site, N(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), and one Ge(1) atom. In the third N site, N(2) is bonded to one Ba(1), one Ba(4), two equivalent Ba(2), and one Ge(1) atom to form distorted NBa4Ge trigonal bipyramids that share  a cornercorner with one N(3)Ba6 octahedra, corners with two equivalent N(4)Ba6 octahedra, corners with two equivalent N(2)Ba4Ge trigonal bipyramids, edges with two equivalent N(3)Ba6 octahedra, and edges with three equivalent N(4)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 6-62°. In the fourth N site, N(3) is bonded to one Ba(2), one Ba(4), two equivalent Ba(1), and two equivalent Ba(3) atoms to form NBa6 octahedra that share corners with three equivalent N(4)Ba6 octahedra,  a cornercorner with one N(2)Ba4Ge trigonal bipyramid, edges with two equivalent N(3)Ba6 octahedra, edges with two equivalent N(4)Ba6 octahedra, and edges with two equivalent N(2)Ba4Ge trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-57°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4GeN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.860
_cell_length_b   4.023
_cell_length_c   17.184
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   889.025
_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
  Ba  Ba0  1  0.615  0.250  0.876  1.0
  Ba  Ba1  1  0.115  0.250  0.624  1.0
  Ba  Ba2  1  0.385  0.750  0.124  1.0
  Ba  Ba3  1  0.885  0.750  0.376  1.0
  Ba  Ba4  1  0.625  0.250  0.462  1.0
  Ba  Ba5  1  0.125  0.250  0.038  1.0
  Ba  Ba6  1  0.375  0.750  0.538  1.0
  Ba  Ba7  1  0.875  0.750  0.962  1.0
  Ba  Ba8  1  0.868  0.250  0.766  1.0
  Ba  Ba9  1  0.368  0.250  0.734  1.0
  Ba  Ba10  1  0.132  0.750  0.234  1.0
  Ba  Ba11  1  0.632  0.750  0.266  1.0
  Ba  Ba12  1  0.872  0.250  0.163  1.0
  Ba  Ba13  1  0.372  0.250  0.337  1.0
  Ba  Ba14  1  0.128  0.750  0.837  1.0
  Ba  Ba15  1  0.628  0.750  0.663  1.0
  Ge  Ge16  1  0.620  0.250  0.073  1.0
  Ge  Ge17  1  0.120  0.250  0.427  1.0
  Ge  Ge18  1  0.380  0.750  0.927  1.0
  Ge  Ge19  1  0.880  0.750  0.573  1.0
  N  N20  1  0.554  0.250  0.161  1.0
  N  N21  1  0.054  0.250  0.339  1.0
  N  N22  1  0.446  0.750  0.839  1.0
  N  N23  1  0.946  0.750  0.661  1.0
  N  N24  1  0.737  0.250  0.021  1.0
  N  N25  1  0.237  0.250  0.479  1.0
  N  N26  1  0.263  0.750  0.979  1.0
  N  N27  1  0.763  0.750  0.521  1.0
  N  N28  1  0.772  0.250  0.309  1.0
  N  N29  1  0.272  0.250  0.191  1.0
  N  N30  1  0.228  0.750  0.691  1.0
  N  N31  1  0.728  0.750  0.809  1.0
  N  N32  1  0.005  0.250  0.886  1.0
  N  N33  1  0.505  0.250  0.614  1.0
  N  N34  1  0.995  0.750  0.114  1.0
  N  N35  1  0.495  0.750  0.386  1.0
[/CIF]
.