The compound described by MgVOCl2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 1-coordinate geometry to one O(1), one Cl(1), and three equivalent Cl(2) atoms. V(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent Cl(1) atoms. O(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to three equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_MgVCl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.957
_cell_length_b   3.706
_cell_length_c   7.178
_cell_angle_alpha   79.819
_cell_angle_beta   71.502
_cell_angle_gamma   93.741
_symmetry_Int_Tables_number   1
_cell_volume   97.410
_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  0.901  0.293  0.331  1.0
  V  V1  1  0.999  0.959  0.932  1.0
  Cl  Cl2  1  0.624  0.213  0.696  1.0
  Cl  Cl3  1  0.324  0.823  0.351  1.0
  O  O4  1  0.973  0.430  0.050  1.0
[/CIF]
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The compound described by MgVOCl2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 1-coordinate geometry to one O(1), one Cl(1), and three equivalent Cl(2) atoms. V(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent Cl(1) atoms. O(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to three equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_MgVCl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.957
_cell_length_b   3.706
_cell_length_c   7.178
_cell_angle_alpha   79.819
_cell_angle_beta   71.502
_cell_angle_gamma   93.741
_symmetry_Int_Tables_number   1
_cell_volume   97.410
_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  0.901  0.293  0.331  1.0
  V  V1  1  0.999  0.959  0.932  1.0
  Cl  Cl2  1  0.624  0.213  0.696  1.0
  Cl  Cl3  1  0.324  0.823  0.351  1.0
  O  O4  1  0.973  0.430  0.050  1.0
[/CIF]
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