The material described by Ba3(MnN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to two equivalent 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. Mn(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of edge and corner-sharing MnN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one Ba(2), three equivalent Ba(1), and two equivalent Mn(1) atoms. In the second N site, N(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Ba3(MnN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.664
_cell_length_b   8.917
_cell_length_c   5.702
_cell_angle_alpha   90.000
_cell_angle_beta   92.228
_cell_angle_gamma   125.571
_symmetry_Int_Tables_number   1
_cell_volume   316.629
_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  0.258  0.996  0.057  1.0
  Ba  Ba1  1  0.742  0.738  0.443  1.0
  Ba  Ba2  1  0.742  0.004  0.943  1.0
  Ba  Ba3  1  0.258  0.262  0.557  1.0
  Ba  Ba4  1  0.000  0.596  0.750  1.0
  Ba  Ba5  1  0.000  0.404  0.250  1.0
  Mn  Mn6  1  0.572  0.162  0.562  1.0
  Mn  Mn7  1  0.428  0.589  0.938  1.0
  Mn  Mn8  1  0.428  0.838  0.438  1.0
  Mn  Mn9  1  0.572  0.411  0.062  1.0
  N  N10  1  0.288  0.947  0.538  1.0
  N  N11  1  0.712  0.658  0.962  1.0
  N  N12  1  0.712  0.053  0.462  1.0
  N  N13  1  0.288  0.342  0.038  1.0
  N  N14  1  0.619  0.270  0.862  1.0
  N  N15  1  0.381  0.651  0.638  1.0
  N  N16  1  0.381  0.730  0.138  1.0
  N  N17  1  0.619  0.349  0.362  1.0
[/CIF]
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The material described by Ba3(MnN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to two equivalent 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. Mn(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of edge and corner-sharing MnN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one Ba(2), three equivalent Ba(1), and two equivalent Mn(1) atoms. In the second N site, N(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Ba3(MnN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.664
_cell_length_b   8.917
_cell_length_c   5.702
_cell_angle_alpha   90.000
_cell_angle_beta   92.228
_cell_angle_gamma   125.571
_symmetry_Int_Tables_number   1
_cell_volume   316.629
_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  0.258  0.996  0.057  1.0
  Ba  Ba1  1  0.742  0.738  0.443  1.0
  Ba  Ba2  1  0.742  0.004  0.943  1.0
  Ba  Ba3  1  0.258  0.262  0.557  1.0
  Ba  Ba4  1  0.000  0.596  0.750  1.0
  Ba  Ba5  1  0.000  0.404  0.250  1.0
  Mn  Mn6  1  0.572  0.162  0.562  1.0
  Mn  Mn7  1  0.428  0.589  0.938  1.0
  Mn  Mn8  1  0.428  0.838  0.438  1.0
  Mn  Mn9  1  0.572  0.411  0.062  1.0
  N  N10  1  0.288  0.947  0.538  1.0
  N  N11  1  0.712  0.658  0.962  1.0
  N  N12  1  0.712  0.053  0.462  1.0
  N  N13  1  0.288  0.342  0.038  1.0
  N  N14  1  0.619  0.270  0.862  1.0
  N  N15  1  0.381  0.651  0.638  1.0
  N  N16  1  0.381  0.730  0.138  1.0
  N  N17  1  0.619  0.349  0.362  1.0
[/CIF]
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