data_MgTiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiCl2
_chemical_formula_sum   'Mg1 Ti1 Cl2'
_cell_volume   77.73
_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  Mg2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.43  0.43  0.0  1.0
  Cl  Cl0  1  0.43  0.0  0.65  1.0
  Cl  Cl1  1  0.0  0.43  0.65  1.0

data_MgTiCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTiCl2
_chemical_formula_sum   'Mg2 Ti2 Cl4'
_cell_volume   155.47
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Ti  Ti1  2  0.43  0.0  0.0  1.0
  Cl  Cl2  4  0.21  0.21  0.65  1.0

Mg Ti Cl Cl
MgTiCl2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 2-coordinate geometry to six equivalent Cl(1) atoms. There are a spread of Mg(1)-Cl(1) bond distances ranging from 2.36-3.02 Å. Ti(1) is bonded in a 6-coordinate geometry to six equivalent Cl(1) atoms. There are a spread of Ti(1)-Cl(1) bond distances ranging from 2.36-3.02 Å. Cl(1) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Ti(1) atoms.