data_VCd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02
_cell_length_b   9.02
_cell_length_c   9.02
_cell_angle_alpha   20.54
_cell_angle_beta   20.54
_cell_angle_gamma   20.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCd2Cl
_chemical_formula_sum   'V1 Cd2 Cl1'
_cell_volume   79.07
_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  0.0  0.0  0.24  1.0
  Cd  Cd0  1  0.0  0.0  0.59  1.0
  Cd  Cd1  1  0.0  0.0  0.88  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_VCd2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   3.22
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   101.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VCd2Cl
_chemical_formula_sum   'V2 Cd4 Cl2'
_cell_volume   158.13
_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  2  0.0  0.0  0.76  1.0
  Cd  Cd1  2  0.0  0.0  0.12  1.0
  Cd  Cd2  2  0.0  0.0  0.41  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

V Cd Cd Cl
V Cd Cd Cl 0 3 o o o 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 2 3 o o + 
VCd2Cl crystallizes in the monoclinic Cm space group. V(1) is bonded in a single-bond geometry to one Cd(1) and one Cl(1) atom. The V(1)-Cd(1) bond length is 3.21 Å. The V(1)-Cl(1) bond length is 2.15 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one V(1), one Cd(2), and six equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing CdVCd7 hexagonal bipyramids. The Cd(1)-Cd(2) bond length is 2.61 Å. All Cd(1)-Cd(1) bond lengths are 3.22 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Cd(1) and one Cl(1) atom. The Cd(2)-Cl(1) bond length is 1.06 Å. Cl(1) is bonded in a distorted linear geometry to one V(1) and one Cd(2) atom.