data_MnVCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVCl2
_chemical_formula_sum   'Mn1 V1 Cl2'
_cell_volume   62.08
_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
  Mn  Mn2  1  0.0  0.0  0.13  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.57  0.57  0.54  1.0
  Cl  Cl1  1  0.57  0.57  0.73  1.0

data_MnVCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnVCl2
_chemical_formula_sum   'Mn2 V2 Cl4'
_cell_volume   124.16
_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
  Mn  Mn0  2  0.0  0.0  0.13  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.07  0.5  0.54  1.0
  Cl  Cl3  2  0.07  0.5  0.73  1.0

Mn V Cl Cl
VMnCl2 crystallizes in the monoclinic Cm space group. V(1) is bonded in a 1-coordinate geometry to one Mn(1) and four equivalent Cl(2) atoms. The V(1)-Mn(1) bond length is 0.83 Å. There are a spread of V(1)-Cl(2) bond distances ranging from 2.55-3.07 Å. Mn(1) is bonded in a single-bond geometry to one V(1) and one Cl(1) atom. The Mn(1)-Cl(1) bond length is 3.17 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Mn(1) and one Cl(2) atom. The Cl(1)-Cl(2) bond length is 1.18 Å. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to four equivalent V(1) and one Cl(1) atom.