data_V5Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12
_cell_length_b   8.12
_cell_length_c   8.12
_cell_angle_alpha   154.52
_cell_angle_beta   154.52
_cell_angle_gamma   36.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Ni3
_chemical_formula_sum   'V5 Ni3'
_cell_volume   98.97
_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  V3  1  0.79  0.0  0.72  1.0
  V  V4  1  0.0  0.79  0.99  1.0
  V  V5  1  0.0  0.79  0.72  1.0
  V  V6  1  0.0  0.0  0.0  1.0
  V  V7  1  0.79  0.0  0.99  1.0
  Ni  Ni0  1  0.0  0.0  0.88  1.0
  Ni  Ni1  1  0.0  0.0  0.71  1.0
  Ni  Ni2  1  0.0  0.0  0.55  1.0

data_V5Ni3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   108.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V5Ni3
_chemical_formula_sum   'V10 Ni6'
_cell_volume   197.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.4  0.4  0.8  1.0
  V  V1  4  0.4  0.4  0.07  1.0
  V  V2  2  0.0  0.0  0.0  1.0
  Ni  Ni3  2  0.0  0.0  0.12  1.0
  Ni  Ni4  2  0.0  0.0  0.29  1.0
  Ni  Ni5  2  0.0  0.0  0.45  1.0

V V V V V Ni Ni Ni
V V V V V Ni Ni Ni 0 5 + o o 0 3 + o + 1 4 - + o 2 5 o + o 2 3 o + + 3 5 o o - 5 6 o o o 6 7 o o o 
V5Ni3 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two V5Ni3 clusters. There are three inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one V(3) and one Ni(1) atom. The V(1)-V(3) bond length is 1.04 Å. The V(1)-Ni(1) bond length is 0.77 Å. In the second V site, V(2) is bonded in a 2-coordinate geometry to one V(2) and one V(3) atom. The V(2)-V(2) bond length is 1.06 Å. The V(2)-V(3) bond length is 1.66 Å. In the third V site, V(3) is bonded in a 3-coordinate geometry to two equivalent V(1), two equivalent V(2), and one Ni(1) atom. The V(3)-Ni(1) bond length is 1.00 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted L-shaped geometry to one V(3), two equivalent V(1), and one Ni(2) atom. The Ni(1)-Ni(2) bond length is 1.32 Å. In the second Ni site, Ni(2) is bonded in a distorted linear geometry to one Ni(1) and one Ni(3) atom. The Ni(2)-Ni(3) bond length is 1.32 Å. In the third Ni site, Ni(3) is bonded in a distorted single-bond geometry to one Ni(2) atom.