data_V2ZnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   145.2
_cell_angle_beta   129.21
_cell_angle_gamma   63.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2ZnRu
_chemical_formula_sum   'V2 Zn1 Ru1'
_cell_volume   54.6
_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  0.0  0.01  1.0
  V  V2  1  0.49  0.0  0.02  1.0
  Zn  Zn3  1  0.0  0.0  0.26  1.0
  Ru  Ru0  1  0.0  0.14  0.23  1.0

data_V2ZnRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.29
_cell_length_c   5.0
_cell_angle_alpha   115.39
_cell_angle_beta   107.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2ZnRu
_chemical_formula_sum   'V2 Zn1 Ru1'
_cell_volume   54.6
_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  0.01  0.01  1.0
  V  V1  1  0.0  0.02  0.53  1.0
  Zn  Zn2  1  0.0  0.26  0.26  1.0
  Ru  Ru3  1  0.86  0.09  0.09  1.0

V V Zn Ru
V2RuZn crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one V(2) and one Ru(1) atom. The V(1)-V(2) bond length is 2.42 Å. The V(1)-Ru(1) bond length is 0.67 Å. In the second V site, V(2) is bonded in a 7-coordinate geometry to one V(1), two equivalent V(2), two equivalent Ru(1), and two equivalent Zn(1) atoms. Both V(2)-V(2) bond lengths are 2.99 Å. There is one shorter (2.25 Å) and one longer (3.08 Å) V(2)-Ru(1) bond length. There is one shorter (2.00 Å) and one longer (2.97 Å) V(2)-Zn(1) bond length. Ru(1) is bonded in a bent 120 degrees geometry to one V(1), two equivalent V(2), and one Zn(1) atom. The Ru(1)-Zn(1) bond length is 0.82 Å. Zn(1) is bonded in a single-bond geometry to two equivalent V(2) and one Ru(1) atom.