The compound described by Ba3(GeN)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one Ge(2), two equivalent N(2), and three equivalent N(1) atoms. In the second Ba site, Ba(2) is bonded in a 2-coordinate geometry to three equivalent Ge(2) and two equivalent N(1) atoms. In the third Ba site, Ba(3) is bonded in a 3-coordinate geometry to three equivalent Ge(2) and three equivalent N(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a water-like geometry to one N(1) and one N(2) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to one Ba(1), three equivalent Ba(2), three equivalent Ba(3), and two equivalent Ge(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ba(2), three equivalent Ba(1), and one Ge(1) atom to form a mixture of distorted corner, face, and edge-sharing NBa5Ge octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the second N site, N(2) is bonded to two equivalent Ba(1), three equivalent Ba(3), and one Ge(1) atom to form a mixture of distorted corner, face, and edge-sharing NBa5Ge octahedra. The corner-sharing octahedral tilt angles range from 44-60°. is represented by the CIF file [CIF]
data_Ba3(GeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.081
_cell_length_b   9.697
_cell_length_c   10.213
_cell_angle_alpha   113.681
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   370.090
_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
  Ba  Ba0  1  0.750  0.972  0.826  1.0
  Ba  Ba1  1  0.250  0.028  0.174  1.0
  Ba  Ba2  1  0.750  0.386  0.144  1.0
  Ba  Ba3  1  0.250  0.614  0.856  1.0
  Ba  Ba4  1  0.750  0.188  0.559  1.0
  Ba  Ba5  1  0.250  0.812  0.441  1.0
  Ge  Ge6  1  0.250  0.246  0.847  1.0
  Ge  Ge7  1  0.250  0.423  0.445  1.0
  Ge  Ge8  1  0.750  0.754  0.153  1.0
  Ge  Ge9  1  0.750  0.577  0.555  1.0
  N  N10  1  0.750  0.819  0.002  1.0
  N  N11  1  0.250  0.181  0.998  1.0
  N  N12  1  0.750  0.929  0.323  1.0
  N  N13  1  0.250  0.071  0.677  1.0
[/CIF]
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The compound described by Ba3(GeN)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one Ge(2), two equivalent N(2), and three equivalent N(1) atoms. In the second Ba site, Ba(2) is bonded in a 2-coordinate geometry to three equivalent Ge(2) and two equivalent N(1) atoms. In the third Ba site, Ba(3) is bonded in a 3-coordinate geometry to three equivalent Ge(2) and three equivalent N(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a water-like geometry to one N(1) and one N(2) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to one Ba(1), three equivalent Ba(2), three equivalent Ba(3), and two equivalent Ge(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ba(2), three equivalent Ba(1), and one Ge(1) atom to form a mixture of distorted corner, face, and edge-sharing NBa5Ge octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the second N site, N(2) is bonded to two equivalent Ba(1), three equivalent Ba(3), and one Ge(1) atom to form a mixture of distorted corner, face, and edge-sharing NBa5Ge octahedra. The corner-sharing octahedral tilt angles range from 44-60°. is represented by the CIF file [CIF]
data_Ba3(GeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.081
_cell_length_b   9.697
_cell_length_c   10.213
_cell_angle_alpha   113.681
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   370.090
_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
  Ba  Ba0  1  0.750  0.972  0.826  1.0
  Ba  Ba1  1  0.250  0.028  0.174  1.0
  Ba  Ba2  1  0.750  0.386  0.144  1.0
  Ba  Ba3  1  0.250  0.614  0.856  1.0
  Ba  Ba4  1  0.750  0.188  0.559  1.0
  Ba  Ba5  1  0.250  0.812  0.441  1.0
  Ge  Ge6  1  0.250  0.246  0.847  1.0
  Ge  Ge7  1  0.250  0.423  0.445  1.0
  Ge  Ge8  1  0.750  0.754  0.153  1.0
  Ge  Ge9  1  0.750  0.577  0.555  1.0
  N  N10  1  0.750  0.819  0.002  1.0
  N  N11  1  0.250  0.181  0.998  1.0
  N  N12  1  0.750  0.929  0.323  1.0
  N  N13  1  0.250  0.071  0.677  1.0
[/CIF]
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