The crystal structure described by Ba6Os2N6O crystallizes in the trigonal R-3 space group. Ba(1) is bonded in a 6-coordinate geometry to five equivalent N(1) and one O(1) atom. Os(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to five equivalent Ba(1) and one Os(1) atom to form distorted NBa5Os octahedra that share corners with two equivalent O(1)Ba6 octahedra, corners with six equivalent N(1)Ba5Os octahedra, edges with eight equivalent N(1)Ba5Os octahedra, and  a faceface with one O(1)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 12-70°. O(1) is bonded to six equivalent Ba(1) atoms to form OBa6 octahedra that share corners with twelve equivalent N(1)Ba5Os octahedra and faces with six equivalent N(1)Ba5Os octahedra. The corner-sharing octahedral tilt angles range from 50-70°. is represented by the CIF card [CIF]
data_Ba6Os2N6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.498
_cell_length_b   7.498
_cell_length_c   7.498
_cell_angle_alpha   66.036
_cell_angle_beta   66.036
_cell_angle_gamma   66.036
_symmetry_Int_Tables_number   1
_cell_volume   336.988
_cell_formula_units_Z   1
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  0.334  0.184  0.737  1.0
  Ba  Ba1  1  0.184  0.737  0.334  1.0
  Ba  Ba2  1  0.737  0.334  0.184  1.0
  Ba  Ba3  1  0.666  0.816  0.263  1.0
  Ba  Ba4  1  0.816  0.263  0.666  1.0
  Ba  Ba5  1  0.263  0.666  0.816  1.0
  Os  Os6  1  0.247  0.247  0.247  1.0
  Os  Os7  1  0.753  0.753  0.753  1.0
  N  N8  1  0.249  0.025  0.473  1.0
  N  N9  1  0.025  0.473  0.249  1.0
  N  N10  1  0.473  0.249  0.025  1.0
  N  N11  1  0.751  0.975  0.527  1.0
  N  N12  1  0.975  0.527  0.751  1.0
  N  N13  1  0.527  0.751  0.975  1.0
  O  O14  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Ba6Os2N6O crystallizes in the trigonal R-3 space group. Ba(1) is bonded in a 6-coordinate geometry to five equivalent N(1) and one O(1) atom. Os(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to five equivalent Ba(1) and one Os(1) atom to form distorted NBa5Os octahedra that share corners with two equivalent O(1)Ba6 octahedra, corners with six equivalent N(1)Ba5Os octahedra, edges with eight equivalent N(1)Ba5Os octahedra, and  a faceface with one O(1)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 12-70°. O(1) is bonded to six equivalent Ba(1) atoms to form OBa6 octahedra that share corners with twelve equivalent N(1)Ba5Os octahedra and faces with six equivalent N(1)Ba5Os octahedra. The corner-sharing octahedral tilt angles range from 50-70°. is represented by the CIF card [CIF]
data_Ba6Os2N6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.498
_cell_length_b   7.498
_cell_length_c   7.498
_cell_angle_alpha   66.036
_cell_angle_beta   66.036
_cell_angle_gamma   66.036
_symmetry_Int_Tables_number   1
_cell_volume   336.988
_cell_formula_units_Z   1
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  0.334  0.184  0.737  1.0
  Ba  Ba1  1  0.184  0.737  0.334  1.0
  Ba  Ba2  1  0.737  0.334  0.184  1.0
  Ba  Ba3  1  0.666  0.816  0.263  1.0
  Ba  Ba4  1  0.816  0.263  0.666  1.0
  Ba  Ba5  1  0.263  0.666  0.816  1.0
  Os  Os6  1  0.247  0.247  0.247  1.0
  Os  Os7  1  0.753  0.753  0.753  1.0
  N  N8  1  0.249  0.025  0.473  1.0
  N  N9  1  0.025  0.473  0.249  1.0
  N  N10  1  0.473  0.249  0.025  1.0
  N  N11  1  0.751  0.975  0.527  1.0
  N  N12  1  0.975  0.527  0.751  1.0
  N  N13  1  0.527  0.751  0.975  1.0
  O  O14  1  0.500  0.500  0.500  1.0
[/CIF]
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