The structure described by Ba3(OsN2)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 6-coordinate geometry to three equivalent N(2) and four 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. Os(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing OsN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to one Ba(2), four equivalent Ba(1), and two equivalent Os(1) atoms. In the second N site, N(2) is bonded in a 7-coordinate geometry to two equivalent Ba(2), three equivalent Ba(1), and two equivalent Os(1) atoms. is represented by the CIF card [CIF]
data_Ba3(OsN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.861
_cell_length_b   9.673
_cell_length_c   5.673
_cell_angle_alpha   90.000
_cell_angle_beta   95.274
_cell_angle_gamma   127.970
_symmetry_Int_Tables_number   1
_cell_volume   337.767
_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  0.253  0.994  0.037  1.0
  Ba  Ba1  1  0.747  0.741  0.463  1.0
  Ba  Ba2  1  0.747  0.006  0.963  1.0
  Ba  Ba3  1  0.253  0.259  0.537  1.0
  Ba  Ba4  1  0.000  0.593  0.750  1.0
  Ba  Ba5  1  0.000  0.407  0.250  1.0
  Os  Os6  1  0.579  0.158  0.567  1.0
  Os  Os7  1  0.421  0.579  0.933  1.0
  Os  Os8  1  0.421  0.842  0.433  1.0
  Os  Os9  1  0.579  0.421  0.067  1.0
  N  N10  1  0.261  0.930  0.543  1.0
  N  N11  1  0.739  0.669  0.957  1.0
  N  N12  1  0.739  0.070  0.457  1.0
  N  N13  1  0.261  0.331  0.043  1.0
  N  N14  1  0.635  0.279  0.883  1.0
  N  N15  1  0.365  0.643  0.617  1.0
  N  N16  1  0.365  0.721  0.117  1.0
  N  N17  1  0.635  0.357  0.383  1.0
[/CIF]
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The structure described by Ba3(OsN2)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 6-coordinate geometry to three equivalent N(2) and four 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. Os(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing OsN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to one Ba(2), four equivalent Ba(1), and two equivalent Os(1) atoms. In the second N site, N(2) is bonded in a 7-coordinate geometry to two equivalent Ba(2), three equivalent Ba(1), and two equivalent Os(1) atoms. is represented by the CIF card [CIF]
data_Ba3(OsN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.861
_cell_length_b   9.673
_cell_length_c   5.673
_cell_angle_alpha   90.000
_cell_angle_beta   95.274
_cell_angle_gamma   127.970
_symmetry_Int_Tables_number   1
_cell_volume   337.767
_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  0.253  0.994  0.037  1.0
  Ba  Ba1  1  0.747  0.741  0.463  1.0
  Ba  Ba2  1  0.747  0.006  0.963  1.0
  Ba  Ba3  1  0.253  0.259  0.537  1.0
  Ba  Ba4  1  0.000  0.593  0.750  1.0
  Ba  Ba5  1  0.000  0.407  0.250  1.0
  Os  Os6  1  0.579  0.158  0.567  1.0
  Os  Os7  1  0.421  0.579  0.933  1.0
  Os  Os8  1  0.421  0.842  0.433  1.0
  Os  Os9  1  0.579  0.421  0.067  1.0
  N  N10  1  0.261  0.930  0.543  1.0
  N  N11  1  0.739  0.669  0.957  1.0
  N  N12  1  0.739  0.070  0.457  1.0
  N  N13  1  0.261  0.331  0.043  1.0
  N  N14  1  0.635  0.279  0.883  1.0
  N  N15  1  0.365  0.643  0.617  1.0
  N  N16  1  0.365  0.721  0.117  1.0
  N  N17  1  0.635  0.357  0.383  1.0
[/CIF]
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