The material structure described by Ba3ZrN3 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded in a distorted see-saw-like geometry to four equivalent N(1) atoms. Zr(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Zr(1) atom. is represented by the CIF file [CIF]
data_Ba3ZrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.502
_cell_length_b   8.502
_cell_length_c   5.864
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   367.065
_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  0.898  0.647  0.250  1.0
  Ba  Ba1  1  0.749  0.102  0.250  1.0
  Ba  Ba2  1  0.353  0.251  0.250  1.0
  Ba  Ba3  1  0.102  0.353  0.750  1.0
  Ba  Ba4  1  0.251  0.898  0.750  1.0
  Ba  Ba5  1  0.647  0.749  0.750  1.0
  Zr  Zr6  1  0.667  0.333  0.750  1.0
  Zr  Zr7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.866  0.605  0.750  1.0
  N  N9  1  0.739  0.134  0.750  1.0
  N  N10  1  0.395  0.261  0.750  1.0
  N  N11  1  0.134  0.395  0.250  1.0
  N  N12  1  0.261  0.866  0.250  1.0
  N  N13  1  0.605  0.739  0.250  1.0
[/CIF]
.
The material structure described by Ba3ZrN3 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded in a distorted see-saw-like geometry to four equivalent N(1) atoms. Zr(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Zr(1) atom. is represented by the CIF file [CIF]
data_Ba3ZrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.502
_cell_length_b   8.502
_cell_length_c   5.864
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   367.065
_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  0.898  0.647  0.250  1.0
  Ba  Ba1  1  0.749  0.102  0.250  1.0
  Ba  Ba2  1  0.353  0.251  0.250  1.0
  Ba  Ba3  1  0.102  0.353  0.750  1.0
  Ba  Ba4  1  0.251  0.898  0.750  1.0
  Ba  Ba5  1  0.647  0.749  0.750  1.0
  Zr  Zr6  1  0.667  0.333  0.750  1.0
  Zr  Zr7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.866  0.605  0.750  1.0
  N  N9  1  0.739  0.134  0.750  1.0
  N  N10  1  0.395  0.261  0.750  1.0
  N  N11  1  0.134  0.395  0.250  1.0
  N  N12  1  0.261  0.866  0.250  1.0
  N  N13  1  0.605  0.739  0.250  1.0
[/CIF]
.