The structure described by Ba3MgGeN4 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 4-coordinate geometry to one N(2) and three equivalent N(1) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. Ge(1) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), one Mg(1), and one Ge(1) atom. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Ba3MgGeN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.297
_cell_length_b   10.254
_cell_length_c   10.702
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   691.100
_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  0.115  0.590  0.344  1.0
  Ba  Ba1  1  0.385  0.590  0.656  1.0
  Ba  Ba2  1  0.115  0.910  0.156  1.0
  Ba  Ba3  1  0.385  0.910  0.844  1.0
  Ba  Ba4  1  0.885  0.410  0.656  1.0
  Ba  Ba5  1  0.615  0.410  0.344  1.0
  Ba  Ba6  1  0.885  0.090  0.844  1.0
  Ba  Ba7  1  0.615  0.090  0.156  1.0
  Ba  Ba8  1  0.750  0.091  0.500  1.0
  Ba  Ba9  1  0.750  0.409  0.000  1.0
  Ba  Ba10  1  0.250  0.909  0.500  1.0
  Ba  Ba11  1  0.250  0.591  0.000  1.0
  Mg  Mg12  1  0.662  0.750  0.250  1.0
  Mg  Mg13  1  0.838  0.750  0.750  1.0
  Mg  Mg14  1  0.338  0.250  0.750  1.0
  Mg  Mg15  1  0.162  0.250  0.250  1.0
  Ge  Ge16  1  0.750  0.767  0.500  1.0
  Ge  Ge17  1  0.750  0.733  0.000  1.0
  Ge  Ge18  1  0.250  0.233  0.500  1.0
  Ge  Ge19  1  0.250  0.267  0.000  1.0
  N  N20  1  0.527  0.667  0.416  1.0
  N  N21  1  0.973  0.667  0.584  1.0
  N  N22  1  0.527  0.833  0.084  1.0
  N  N23  1  0.973  0.833  0.916  1.0
  N  N24  1  0.473  0.333  0.584  1.0
  N  N25  1  0.027  0.333  0.416  1.0
  N  N26  1  0.473  0.167  0.916  1.0
  N  N27  1  0.027  0.167  0.084  1.0
  N  N28  1  0.868  0.633  0.135  1.0
  N  N29  1  0.632  0.633  0.865  1.0
  N  N30  1  0.868  0.867  0.365  1.0
  N  N31  1  0.632  0.867  0.635  1.0
  N  N32  1  0.132  0.367  0.865  1.0
  N  N33  1  0.368  0.367  0.135  1.0
  N  N34  1  0.132  0.133  0.635  1.0
  N  N35  1  0.368  0.133  0.365  1.0
[/CIF]
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The structure described by Ba3MgGeN4 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 4-coordinate geometry to one N(2) and three equivalent N(1) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. Ge(1) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), one Mg(1), and one Ge(1) atom. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Ba3MgGeN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.297
_cell_length_b   10.254
_cell_length_c   10.702
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   691.100
_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  0.115  0.590  0.344  1.0
  Ba  Ba1  1  0.385  0.590  0.656  1.0
  Ba  Ba2  1  0.115  0.910  0.156  1.0
  Ba  Ba3  1  0.385  0.910  0.844  1.0
  Ba  Ba4  1  0.885  0.410  0.656  1.0
  Ba  Ba5  1  0.615  0.410  0.344  1.0
  Ba  Ba6  1  0.885  0.090  0.844  1.0
  Ba  Ba7  1  0.615  0.090  0.156  1.0
  Ba  Ba8  1  0.750  0.091  0.500  1.0
  Ba  Ba9  1  0.750  0.409  0.000  1.0
  Ba  Ba10  1  0.250  0.909  0.500  1.0
  Ba  Ba11  1  0.250  0.591  0.000  1.0
  Mg  Mg12  1  0.662  0.750  0.250  1.0
  Mg  Mg13  1  0.838  0.750  0.750  1.0
  Mg  Mg14  1  0.338  0.250  0.750  1.0
  Mg  Mg15  1  0.162  0.250  0.250  1.0
  Ge  Ge16  1  0.750  0.767  0.500  1.0
  Ge  Ge17  1  0.750  0.733  0.000  1.0
  Ge  Ge18  1  0.250  0.233  0.500  1.0
  Ge  Ge19  1  0.250  0.267  0.000  1.0
  N  N20  1  0.527  0.667  0.416  1.0
  N  N21  1  0.973  0.667  0.584  1.0
  N  N22  1  0.527  0.833  0.084  1.0
  N  N23  1  0.973  0.833  0.916  1.0
  N  N24  1  0.473  0.333  0.584  1.0
  N  N25  1  0.027  0.333  0.416  1.0
  N  N26  1  0.473  0.167  0.916  1.0
  N  N27  1  0.027  0.167  0.084  1.0
  N  N28  1  0.868  0.633  0.135  1.0
  N  N29  1  0.632  0.633  0.865  1.0
  N  N30  1  0.868  0.867  0.365  1.0
  N  N31  1  0.632  0.867  0.635  1.0
  N  N32  1  0.132  0.367  0.865  1.0
  N  N33  1  0.368  0.367  0.135  1.0
  N  N34  1  0.132  0.133  0.635  1.0
  N  N35  1  0.368  0.133  0.365  1.0
[/CIF]
.