The material structure described by BaCN2 is Pb(Zr_(1-x)Ti_x)O3-like structured and crystallizes in the trigonal R-3c space group. Ba(1) is bonded in a 6-coordinate geometry to six equivalent N(1) atoms. C(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.121
_cell_length_b   9.121
_cell_length_c   9.121
_cell_angle_alpha   112.736
_cell_angle_beta   112.736
_cell_angle_gamma   112.736
_symmetry_Int_Tables_number   1
_cell_volume   501.329
_cell_formula_units_Z   6
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  0.250  0.460  0.040  1.0
  Ba  Ba1  1  0.040  0.250  0.460  1.0
  Ba  Ba2  1  0.460  0.040  0.250  1.0
  Ba  Ba3  1  0.750  0.540  0.960  1.0
  Ba  Ba4  1  0.960  0.750  0.540  1.0
  Ba  Ba5  1  0.540  0.960  0.750  1.0
  C  C6  1  0.750  0.966  0.534  1.0
  C  C7  1  0.250  0.034  0.466  1.0
  C  C8  1  0.466  0.250  0.034  1.0
  C  C9  1  0.034  0.466  0.250  1.0
  C  C10  1  0.534  0.750  0.966  1.0
  C  C11  1  0.966  0.534  0.750  1.0
  N  N12  1  0.849  0.418  0.560  1.0
  N  N13  1  0.418  0.560  0.849  1.0
  N  N14  1  0.940  0.082  0.651  1.0
  N  N15  1  0.560  0.849  0.418  1.0
  N  N16  1  0.082  0.651  0.940  1.0
  N  N17  1  0.651  0.940  0.082  1.0
  N  N18  1  0.151  0.582  0.440  1.0
  N  N19  1  0.582  0.440  0.151  1.0
  N  N20  1  0.440  0.151  0.582  1.0
  N  N21  1  0.918  0.349  0.060  1.0
  N  N22  1  0.349  0.060  0.918  1.0
  N  N23  1  0.060  0.918  0.349  1.0
[/CIF]
.
The material structure described by BaCN2 is Pb(Zr_(1-x)Ti_x)O3-like structured and crystallizes in the trigonal R-3c space group. Ba(1) is bonded in a 6-coordinate geometry to six equivalent N(1) atoms. C(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.121
_cell_length_b   9.121
_cell_length_c   9.121
_cell_angle_alpha   112.736
_cell_angle_beta   112.736
_cell_angle_gamma   112.736
_symmetry_Int_Tables_number   1
_cell_volume   501.329
_cell_formula_units_Z   6
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  0.250  0.460  0.040  1.0
  Ba  Ba1  1  0.040  0.250  0.460  1.0
  Ba  Ba2  1  0.460  0.040  0.250  1.0
  Ba  Ba3  1  0.750  0.540  0.960  1.0
  Ba  Ba4  1  0.960  0.750  0.540  1.0
  Ba  Ba5  1  0.540  0.960  0.750  1.0
  C  C6  1  0.750  0.966  0.534  1.0
  C  C7  1  0.250  0.034  0.466  1.0
  C  C8  1  0.466  0.250  0.034  1.0
  C  C9  1  0.034  0.466  0.250  1.0
  C  C10  1  0.534  0.750  0.966  1.0
  C  C11  1  0.966  0.534  0.750  1.0
  N  N12  1  0.849  0.418  0.560  1.0
  N  N13  1  0.418  0.560  0.849  1.0
  N  N14  1  0.940  0.082  0.651  1.0
  N  N15  1  0.560  0.849  0.418  1.0
  N  N16  1  0.082  0.651  0.940  1.0
  N  N17  1  0.651  0.940  0.082  1.0
  N  N18  1  0.151  0.582  0.440  1.0
  N  N19  1  0.582  0.440  0.151  1.0
  N  N20  1  0.440  0.151  0.582  1.0
  N  N21  1  0.918  0.349  0.060  1.0
  N  N22  1  0.349  0.060  0.918  1.0
  N  N23  1  0.060  0.918  0.349  1.0
[/CIF]
.