data_VAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAs2
_chemical_formula_sum   'V2 As4'
_cell_volume   115.24
_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
  V  V4  1  0.0  0.0  0.0  1.0
  V  V5  1  0.93  0.93  0.93  1.0
  As  As0  1  0.9  0.9  0.83  1.0
  As  As1  1  0.83  0.9  0.9  1.0
  As  As2  1  0.9  0.83  0.9  1.0
  As  As3  1  0.83  0.83  0.83  1.0

data_VAs2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   13.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VAs2
_chemical_formula_sum   'V6 As12'
_cell_volume   345.72
_cell_formula_units_Z   6
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
  V  V1  3  0.0  0.0  0.07  1.0
  As  As2  9  0.05  0.02  0.13  1.0
  As  As3  3  0.0  0.0  0.17  1.0

V V As As As As
V V As As As As 0 1 - - - 1 4 o o o 1 3 o o o 1 2 o o o 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
As2V is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three As2V clusters. There are two inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one V(2) atom. The V(1)-V(2) bond length is 0.92 Å. In the second V site, V(2) is bonded in a distorted rectangular see-saw-like geometry to one V(1) and three equivalent As(1) atoms. All V(2)-As(1) bond lengths are 0.80 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 2-coordinate geometry to one V(2), one As(2), and two equivalent As(1) atoms. The As(1)-As(2) bond length is 0.65 Å. Both As(1)-As(1) bond lengths are 0.38 Å. In the second As site, As(2) is bonded in a 3-coordinate geometry to three equivalent As(1) atoms.