data_CoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   3.48
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoN3
_chemical_formula_sum   'Co1 N3'
_cell_volume   29.76
_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
  Co  Co0  1  0.46  0.46  0.46  1.0
  N  N1  1  0.69  0.69  0.69  1.0
  N  N2  1  0.0  0.0  0.0  1.0
  N  N3  1  0.23  0.23  0.23  1.0

data_CoN3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoN3
_chemical_formula_sum   'Co3 N9'
_cell_volume   89.29
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Co  Co0  3  0.0  0.0  0.54  1.0
  N  N1  3  0.0  0.0  0.0  1.0
  N  N2  3  0.0  0.0  0.31  1.0
  N  N3  3  0.0  0.0  0.77  1.0

Co N N N
Co N N N 0 3 o o o 0 3 o o + 0 3 + o o 0 3 o + o 0 1 o - o 0 1 - o o 0 1 o o - 0 1 o o o 0 2 o o + 0 2 o + o 0 2 + o o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 o + + 1 2 + o + 1 2 + + o 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
CoN3 is alpha bismuth trifluoride structured and crystallizes in the trigonal R3m space group. Co(1) is bonded in a 11-coordinate geometry to three equivalent N(2), four equivalent N(1), and four equivalent N(3) atoms. All Co(1)-N(2) bond lengths are 2.28 Å. There is one shorter (1.96 Å) and three longer (2.19 Å) Co(1)-N(1) bond lengths. There is one shorter (1.96 Å) and three longer (2.19 Å) Co(1)-N(3) bond lengths. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to four equivalent Co(1) and three equivalent N(2) atoms. All N(1)-N(2) bond lengths are 2.02 Å. In the second N site, N(2) is bonded in a 7-coordinate geometry to three equivalent Co(1), one N(3), and three equivalent N(1) atoms. The N(2)-N(3) bond length is 1.96 Å. In the third N site, N(3) is bonded in a 4-coordinate geometry to four equivalent Co(1) and one N(2) atom.