The crystal structure described by Ba3(MnN2)2 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(1) and three equivalent N(2) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form edge-sharing MnN4 tetrahedra. In the second Mn site, Mn(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-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(1), two equivalent Ba(2), one Mn(1), and one Mn(2) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_Ba3(MnN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.254
_cell_length_b   9.924
_cell_length_c   10.131
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   628.760
_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  0.620  0.156  0.416  1.0
  Ba  Ba1  1  0.880  0.844  0.416  1.0
  Ba  Ba2  1  0.620  0.344  0.084  1.0
  Ba  Ba3  1  0.880  0.656  0.084  1.0
  Ba  Ba4  1  0.380  0.844  0.584  1.0
  Ba  Ba5  1  0.120  0.156  0.584  1.0
  Ba  Ba6  1  0.380  0.656  0.916  1.0
  Ba  Ba7  1  0.120  0.344  0.916  1.0
  Ba  Ba8  1  0.750  0.500  0.405  1.0
  Ba  Ba9  1  0.750  0.000  0.095  1.0
  Ba  Ba10  1  0.250  0.500  0.595  1.0
  Ba  Ba11  1  0.250  0.000  0.905  1.0
  Mn  Mn12  1  0.750  0.500  0.737  1.0
  Mn  Mn13  1  0.750  0.000  0.763  1.0
  Mn  Mn14  1  0.250  0.500  0.263  1.0
  Mn  Mn15  1  0.250  0.000  0.237  1.0
  Mn  Mn16  1  0.673  0.250  0.750  1.0
  Mn  Mn17  1  0.827  0.750  0.750  1.0
  Mn  Mn18  1  0.327  0.750  0.250  1.0
  Mn  Mn19  1  0.173  0.250  0.250  1.0
  N  N20  1  0.858  0.355  0.642  1.0
  N  N21  1  0.642  0.645  0.642  1.0
  N  N22  1  0.858  0.145  0.858  1.0
  N  N23  1  0.642  0.855  0.858  1.0
  N  N24  1  0.142  0.645  0.358  1.0
  N  N25  1  0.358  0.355  0.358  1.0
  N  N26  1  0.142  0.855  0.142  1.0
  N  N27  1  0.358  0.145  0.142  1.0
  N  N28  1  0.538  0.405  0.827  1.0
  N  N29  1  0.962  0.595  0.827  1.0
  N  N30  1  0.538  0.095  0.673  1.0
  N  N31  1  0.962  0.905  0.673  1.0
  N  N32  1  0.462  0.595  0.173  1.0
  N  N33  1  0.038  0.405  0.173  1.0
  N  N34  1  0.462  0.905  0.327  1.0
  N  N35  1  0.038  0.095  0.327  1.0
[/CIF]
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The crystal structure described by Ba3(MnN2)2 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(1) and three equivalent N(2) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form edge-sharing MnN4 tetrahedra. In the second Mn site, Mn(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-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(1), two equivalent Ba(2), one Mn(1), and one Mn(2) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_Ba3(MnN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.254
_cell_length_b   9.924
_cell_length_c   10.131
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   628.760
_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  0.620  0.156  0.416  1.0
  Ba  Ba1  1  0.880  0.844  0.416  1.0
  Ba  Ba2  1  0.620  0.344  0.084  1.0
  Ba  Ba3  1  0.880  0.656  0.084  1.0
  Ba  Ba4  1  0.380  0.844  0.584  1.0
  Ba  Ba5  1  0.120  0.156  0.584  1.0
  Ba  Ba6  1  0.380  0.656  0.916  1.0
  Ba  Ba7  1  0.120  0.344  0.916  1.0
  Ba  Ba8  1  0.750  0.500  0.405  1.0
  Ba  Ba9  1  0.750  0.000  0.095  1.0
  Ba  Ba10  1  0.250  0.500  0.595  1.0
  Ba  Ba11  1  0.250  0.000  0.905  1.0
  Mn  Mn12  1  0.750  0.500  0.737  1.0
  Mn  Mn13  1  0.750  0.000  0.763  1.0
  Mn  Mn14  1  0.250  0.500  0.263  1.0
  Mn  Mn15  1  0.250  0.000  0.237  1.0
  Mn  Mn16  1  0.673  0.250  0.750  1.0
  Mn  Mn17  1  0.827  0.750  0.750  1.0
  Mn  Mn18  1  0.327  0.750  0.250  1.0
  Mn  Mn19  1  0.173  0.250  0.250  1.0
  N  N20  1  0.858  0.355  0.642  1.0
  N  N21  1  0.642  0.645  0.642  1.0
  N  N22  1  0.858  0.145  0.858  1.0
  N  N23  1  0.642  0.855  0.858  1.0
  N  N24  1  0.142  0.645  0.358  1.0
  N  N25  1  0.358  0.355  0.358  1.0
  N  N26  1  0.142  0.855  0.142  1.0
  N  N27  1  0.358  0.145  0.142  1.0
  N  N28  1  0.538  0.405  0.827  1.0
  N  N29  1  0.962  0.595  0.827  1.0
  N  N30  1  0.538  0.095  0.673  1.0
  N  N31  1  0.962  0.905  0.673  1.0
  N  N32  1  0.462  0.595  0.173  1.0
  N  N33  1  0.038  0.405  0.173  1.0
  N  N34  1  0.462  0.905  0.327  1.0
  N  N35  1  0.038  0.095  0.327  1.0
[/CIF]
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