The material structure described by Ba3YN3 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded in a see-saw-like geometry to four equivalent N(1) atoms. Y(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to four equivalent Ba(1) and one Y(1) atom to form a mixture of distorted edge and corner-sharing NBa4Y trigonal bipyramids. is represented by the CIF file [CIF]
data_Ba3YN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.622
_cell_length_b   8.622
_cell_length_c   5.860
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   377.231
_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  0.913  0.660  0.250  1.0
  Ba  Ba1  1  0.747  0.087  0.250  1.0
  Ba  Ba2  1  0.340  0.253  0.250  1.0
  Ba  Ba3  1  0.087  0.340  0.750  1.0
  Ba  Ba4  1  0.253  0.913  0.750  1.0
  Ba  Ba5  1  0.660  0.747  0.750  1.0
  Y  Y6  1  0.667  0.333  0.750  1.0
  Y  Y7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.881  0.621  0.750  1.0
  N  N9  1  0.740  0.119  0.750  1.0
  N  N10  1  0.379  0.260  0.750  1.0
  N  N11  1  0.119  0.379  0.250  1.0
  N  N12  1  0.260  0.881  0.250  1.0
  N  N13  1  0.621  0.740  0.250  1.0
[/CIF]
.
The material structure described by Ba3YN3 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded in a see-saw-like geometry to four equivalent N(1) atoms. Y(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to four equivalent Ba(1) and one Y(1) atom to form a mixture of distorted edge and corner-sharing NBa4Y trigonal bipyramids. is represented by the CIF file [CIF]
data_Ba3YN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.622
_cell_length_b   8.622
_cell_length_c   5.860
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   377.231
_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  0.913  0.660  0.250  1.0
  Ba  Ba1  1  0.747  0.087  0.250  1.0
  Ba  Ba2  1  0.340  0.253  0.250  1.0
  Ba  Ba3  1  0.087  0.340  0.750  1.0
  Ba  Ba4  1  0.253  0.913  0.750  1.0
  Ba  Ba5  1  0.660  0.747  0.750  1.0
  Y  Y6  1  0.667  0.333  0.750  1.0
  Y  Y7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.881  0.621  0.750  1.0
  N  N9  1  0.740  0.119  0.750  1.0
  N  N10  1  0.379  0.260  0.750  1.0
  N  N11  1  0.119  0.379  0.250  1.0
  N  N12  1  0.260  0.881  0.250  1.0
  N  N13  1  0.621  0.740  0.250  1.0
[/CIF]
.