The material described by MgV2(OCl2)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one Cl(2), two equivalent Cl(1), and two equivalent Cl(3) atoms to form distorted MgCl5O octahedra that share corners with five equivalent V(1)Cl4O2 octahedra and edges with two equivalent Mg(1)Cl5O octahedra. The corner-sharing octahedral tilt angles range from 45-58°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom to form distorted VCl4O2 octahedra that share corners with two equivalent V(1)Cl4O2 octahedra and corners with five equivalent Mg(1)Cl5O octahedra. The corner-sharing octahedral tilt angles range from 5-58°. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent O(1), one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent V(1) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one V(1), and one V(2) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the third Cl site, Cl(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1), one V(1), and one V(2) atom. In the fourth Cl site, Cl(4) is bonded in an L-shaped geometry to one V(1) and one V(2) atom. is represented by the CIF card [CIF]
data_MgV2(Cl2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.332
_cell_length_b   3.710
_cell_length_c   6.964
_cell_angle_alpha   105.237
_cell_angle_beta   104.788
_cell_angle_gamma   89.990
_symmetry_Int_Tables_number   1
_cell_volume   176.247
_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
  Mg  Mg0  1  0.409  0.335  0.667  1.0
  V  V1  1  0.998  0.002  0.998  1.0
  V  V2  1  0.525  0.022  0.048  1.0
  Cl  Cl3  1  0.187  0.851  0.699  1.0
  Cl  Cl4  1  0.319  0.139  0.284  1.0
  Cl  Cl5  1  0.661  0.857  0.712  1.0
  Cl  Cl6  1  0.825  0.133  0.271  1.0
  O  O7  1  0.484  0.485  0.973  1.0
  O  O8  1  1.000  0.496  0.987  1.0
[/CIF]
.
The material described by MgV2(OCl2)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one Cl(2), two equivalent Cl(1), and two equivalent Cl(3) atoms to form distorted MgCl5O octahedra that share corners with five equivalent V(1)Cl4O2 octahedra and edges with two equivalent Mg(1)Cl5O octahedra. The corner-sharing octahedral tilt angles range from 45-58°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom to form distorted VCl4O2 octahedra that share corners with two equivalent V(1)Cl4O2 octahedra and corners with five equivalent Mg(1)Cl5O octahedra. The corner-sharing octahedral tilt angles range from 5-58°. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent O(1), one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent V(1) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one V(1), and one V(2) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the third Cl site, Cl(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1), one V(1), and one V(2) atom. In the fourth Cl site, Cl(4) is bonded in an L-shaped geometry to one V(1) and one V(2) atom. is represented by the CIF card [CIF]
data_MgV2(Cl2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.332
_cell_length_b   3.710
_cell_length_c   6.964
_cell_angle_alpha   105.237
_cell_angle_beta   104.788
_cell_angle_gamma   89.990
_symmetry_Int_Tables_number   1
_cell_volume   176.247
_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
  Mg  Mg0  1  0.409  0.335  0.667  1.0
  V  V1  1  0.998  0.002  0.998  1.0
  V  V2  1  0.525  0.022  0.048  1.0
  Cl  Cl3  1  0.187  0.851  0.699  1.0
  Cl  Cl4  1  0.319  0.139  0.284  1.0
  Cl  Cl5  1  0.661  0.857  0.712  1.0
  Cl  Cl6  1  0.825  0.133  0.271  1.0
  O  O7  1  0.484  0.485  0.973  1.0
  O  O8  1  1.000  0.496  0.987  1.0
[/CIF]
.