data_V(NCl3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   6.87
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V(NCl3)2
_chemical_formula_sum   'V1 N2 Cl6'
_cell_volume   229.54
_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
  V  V0  1  0.0  0.0  0.0  1.0
  N  N1  1  0.29  0.29  0.29  1.0
  N  N2  1  0.43  0.43  0.43  1.0
  Cl  Cl3  1  0.86  0.86  0.46  1.0
  Cl  Cl4  1  0.86  0.26  0.86  1.0
  Cl  Cl5  1  0.26  0.86  0.86  1.0
  Cl  Cl6  1  0.86  0.86  0.26  1.0
  Cl  Cl7  1  0.86  0.46  0.86  1.0
  Cl  Cl8  1  0.46  0.86  0.86  1.0

data_V(NCl3)2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   16.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   V(NCl3)2
_chemical_formula_sum   'V3 N6 Cl18'
_cell_volume   688.61
_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
  V  V0  3  0.0  0.0  0.0  1.0
  N  N1  3  0.0  0.0  0.57  1.0
  N  N2  3  0.0  0.0  0.71  1.0
  Cl  Cl3  9  0.07  0.53  0.67  1.0
  Cl  Cl4  9  0.2  0.4  0.94  1.0

V N N Cl Cl Cl Cl Cl Cl
V N N Cl Cl Cl Cl Cl Cl 0 6 - - o 0 4 - o - 0 5 o - - 1 2 o o o 3 6 o o o 4 7 o o o 5 8 o o o 
VCl6N2 is Indium-derived structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of six ammonia atoms and three VCl6 clusters. In each VCl6 cluster, V(1) is bonded in a trigonal planar geometry to three equivalent Cl(2) atoms. All V(1)-Cl(2) bond lengths are 1.58 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Cl(2) atom. The Cl(1)-Cl(2) bond length is 1.42 Å. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one V(1) and one Cl(1) atom.