data_V3InI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3InI
_chemical_formula_sum   'V3 In1 I1'
_cell_volume   138.12
_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  V1  1  0.0  0.58  0.0  1.0
  V  V2  1  0.0  0.0  0.58  1.0
  V  V3  1  0.58  0.0  0.0  1.0
  In  In4  1  0.0  0.0  0.0  1.0
  I  I0  1  0.58  0.58  0.58  1.0

data_V3InI
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.31
_cell_length_b   7.31
_cell_length_c   8.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   V3InI
_chemical_formula_sum   'V9 In3 I3'
_cell_volume   414.37
_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  9  0.06  0.53  0.53  1.0
  In  In1  3  0.0  0.0  0.0  1.0
  I  I2  3  0.0  0.0  0.58  1.0

V V V In I
V3InI crystallizes in the trigonal R3m space group. V(1) is bonded in a 3-coordinate geometry to two equivalent In(1) and one I(1) atom. There is one shorter (2.15 Å) and one longer (3.02 Å) V(1)-In(1) bond length. The V(1)-I(1) bond length is 3.04 Å. In(1) is bonded to six equivalent V(1) atoms to form distorted corner-sharing InV6 octahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a 3-coordinate geometry to three equivalent V(1) atoms.