The crystal structure described by Ba3CoN3 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing BaN5 trigonal bipyramids. Co(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 Co(1) atom to form a mixture of distorted corner and edge-sharing NBa5Co octahedra. The corner-sharing octahedral tilt angles range from 22-43°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3CoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.107
_cell_length_b   8.110
_cell_length_c   5.633
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.028
_symmetry_Int_Tables_number   1
_cell_volume   320.623
_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  0.918  0.636  0.250  1.0
  Ba  Ba1  1  0.718  0.082  0.250  1.0
  Ba  Ba2  1  0.364  0.282  0.250  1.0
  Ba  Ba3  1  0.082  0.364  0.750  1.0
  Ba  Ba4  1  0.282  0.918  0.750  1.0
  Ba  Ba5  1  0.636  0.718  0.750  1.0
  Co  Co6  1  0.667  0.333  0.750  1.0
  Co  Co7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.872  0.559  0.750  1.0
  N  N9  1  0.687  0.128  0.750  1.0
  N  N10  1  0.441  0.313  0.750  1.0
  N  N11  1  0.128  0.441  0.250  1.0
  N  N12  1  0.313  0.872  0.250  1.0
  N  N13  1  0.559  0.687  0.250  1.0
[/CIF]
.
The crystal structure described by Ba3CoN3 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing BaN5 trigonal bipyramids. Co(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 Co(1) atom to form a mixture of distorted corner and edge-sharing NBa5Co octahedra. The corner-sharing octahedral tilt angles range from 22-43°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3CoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.107
_cell_length_b   8.110
_cell_length_c   5.633
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.028
_symmetry_Int_Tables_number   1
_cell_volume   320.623
_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  0.918  0.636  0.250  1.0
  Ba  Ba1  1  0.718  0.082  0.250  1.0
  Ba  Ba2  1  0.364  0.282  0.250  1.0
  Ba  Ba3  1  0.082  0.364  0.750  1.0
  Ba  Ba4  1  0.282  0.918  0.750  1.0
  Ba  Ba5  1  0.636  0.718  0.750  1.0
  Co  Co6  1  0.667  0.333  0.750  1.0
  Co  Co7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.872  0.559  0.750  1.0
  N  N9  1  0.687  0.128  0.750  1.0
  N  N10  1  0.441  0.313  0.750  1.0
  N  N11  1  0.128  0.441  0.250  1.0
  N  N12  1  0.313  0.872  0.250  1.0
  N  N13  1  0.559  0.687  0.250  1.0
[/CIF]
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