The material structure described by Ti(O4Cl)4 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four Ti(O4Cl)4 clusters. Ti(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one Cl(2) atom. In the second O site, O(6) is bonded in a water-like geometry to one Ti(1) and one Cl(2) atom. In the third O site, O(7) is bonded in a single-bond geometry to one Cl(2) atom. In the fourth O site, O(8) is bonded in a single-bond geometry to one Cl(1) atom. In the fifth O site, O(1) is bonded in a water-like geometry to one Ti(1) and one Cl(1) atom. In the sixth O site, O(2) is bonded in a single-bond geometry to one Cl(1) atom. In the seventh O site, O(3) is bonded in a water-like geometry to one Ti(1) and one Cl(1) atom. In the eighth O site, O(4) is bonded in a water-like geometry to one Ti(1) and one Cl(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(8) atom. In the second Cl site, Cl(2) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. is represented by the CIF card [CIF]
data_Ti(ClO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.370
_cell_length_b   7.370
_cell_length_c   12.987
_cell_angle_alpha   73.701
_cell_angle_beta   73.701
_cell_angle_gamma   64.015
_symmetry_Int_Tables_number   1
_cell_volume   598.312
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.036  0.964  0.750  1.0
  Ti  Ti1  1  0.964  0.036  0.250  1.0
  Cl  Cl2  1  0.331  0.786  0.585  1.0
  Cl  Cl3  1  0.214  0.669  0.915  1.0
  Cl  Cl4  1  0.669  0.215  0.415  1.0
  Cl  Cl5  1  0.785  0.331  0.085  1.0
  Cl  Cl6  1  0.992  0.361  0.660  1.0
  Cl  Cl7  1  0.639  0.008  0.840  1.0
  Cl  Cl8  1  0.008  0.639  0.340  1.0
  Cl  Cl9  1  0.361  0.992  0.160  1.0
  O  O10  1  0.334  0.893  0.668  1.0
  O  O11  1  0.107  0.666  0.832  1.0
  O  O12  1  0.666  0.107  0.332  1.0
  O  O13  1  0.893  0.334  0.168  1.0
  O  O14  1  0.460  0.577  0.604  1.0
  O  O15  1  0.423  0.540  0.896  1.0
  O  O16  1  0.540  0.423  0.396  1.0
  O  O17  1  0.577  0.460  0.104  1.0
  O  O18  1  0.109  0.815  0.618  1.0
  O  O19  1  0.185  0.891  0.882  1.0
  O  O20  1  0.216  0.927  0.130  1.0
  O  O21  1  0.073  0.784  0.370  1.0
  O  O22  1  0.784  0.073  0.870  1.0
  O  O23  1  0.927  0.216  0.630  1.0
  O  O24  1  0.537  0.821  0.186  1.0
  O  O25  1  0.179  0.463  0.314  1.0
  O  O26  1  0.463  0.179  0.814  1.0
  O  O27  1  0.821  0.537  0.686  1.0
  O  O28  1  0.224  0.076  0.260  1.0
  O  O29  1  0.924  0.776  0.240  1.0
  O  O30  1  0.776  0.924  0.740  1.0
  O  O31  1  0.076  0.224  0.760  1.0
  O  O32  1  0.399  0.149  0.078  1.0
  O  O33  1  0.851  0.601  0.422  1.0
  O  O34  1  0.601  0.851  0.922  1.0
  O  O35  1  0.149  0.399  0.578  1.0
  O  O36  1  0.892  0.371  0.979  1.0
  O  O37  1  0.629  0.108  0.521  1.0
  O  O38  1  0.108  0.629  0.021  1.0
  O  O39  1  0.371  0.892  0.479  1.0
  O  O40  1  0.815  0.109  0.118  1.0
  O  O41  1  0.891  0.185  0.382  1.0
[/CIF]
.
The material structure described by Ti(O4Cl)4 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four Ti(O4Cl)4 clusters. Ti(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one Cl(2) atom. In the second O site, O(6) is bonded in a water-like geometry to one Ti(1) and one Cl(2) atom. In the third O site, O(7) is bonded in a single-bond geometry to one Cl(2) atom. In the fourth O site, O(8) is bonded in a single-bond geometry to one Cl(1) atom. In the fifth O site, O(1) is bonded in a water-like geometry to one Ti(1) and one Cl(1) atom. In the sixth O site, O(2) is bonded in a single-bond geometry to one Cl(1) atom. In the seventh O site, O(3) is bonded in a water-like geometry to one Ti(1) and one Cl(1) atom. In the eighth O site, O(4) is bonded in a water-like geometry to one Ti(1) and one Cl(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(8) atom. In the second Cl site, Cl(2) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. is represented by the CIF card [CIF]
data_Ti(ClO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.370
_cell_length_b   7.370
_cell_length_c   12.987
_cell_angle_alpha   73.701
_cell_angle_beta   73.701
_cell_angle_gamma   64.015
_symmetry_Int_Tables_number   1
_cell_volume   598.312
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.036  0.964  0.750  1.0
  Ti  Ti1  1  0.964  0.036  0.250  1.0
  Cl  Cl2  1  0.331  0.786  0.585  1.0
  Cl  Cl3  1  0.214  0.669  0.915  1.0
  Cl  Cl4  1  0.669  0.215  0.415  1.0
  Cl  Cl5  1  0.785  0.331  0.085  1.0
  Cl  Cl6  1  0.992  0.361  0.660  1.0
  Cl  Cl7  1  0.639  0.008  0.840  1.0
  Cl  Cl8  1  0.008  0.639  0.340  1.0
  Cl  Cl9  1  0.361  0.992  0.160  1.0
  O  O10  1  0.334  0.893  0.668  1.0
  O  O11  1  0.107  0.666  0.832  1.0
  O  O12  1  0.666  0.107  0.332  1.0
  O  O13  1  0.893  0.334  0.168  1.0
  O  O14  1  0.460  0.577  0.604  1.0
  O  O15  1  0.423  0.540  0.896  1.0
  O  O16  1  0.540  0.423  0.396  1.0
  O  O17  1  0.577  0.460  0.104  1.0
  O  O18  1  0.109  0.815  0.618  1.0
  O  O19  1  0.185  0.891  0.882  1.0
  O  O20  1  0.216  0.927  0.130  1.0
  O  O21  1  0.073  0.784  0.370  1.0
  O  O22  1  0.784  0.073  0.870  1.0
  O  O23  1  0.927  0.216  0.630  1.0
  O  O24  1  0.537  0.821  0.186  1.0
  O  O25  1  0.179  0.463  0.314  1.0
  O  O26  1  0.463  0.179  0.814  1.0
  O  O27  1  0.821  0.537  0.686  1.0
  O  O28  1  0.224  0.076  0.260  1.0
  O  O29  1  0.924  0.776  0.240  1.0
  O  O30  1  0.776  0.924  0.740  1.0
  O  O31  1  0.076  0.224  0.760  1.0
  O  O32  1  0.399  0.149  0.078  1.0
  O  O33  1  0.851  0.601  0.422  1.0
  O  O34  1  0.601  0.851  0.922  1.0
  O  O35  1  0.149  0.399  0.578  1.0
  O  O36  1  0.892  0.371  0.979  1.0
  O  O37  1  0.629  0.108  0.521  1.0
  O  O38  1  0.108  0.629  0.021  1.0
  O  O39  1  0.371  0.892  0.479  1.0
  O  O40  1  0.815  0.109  0.118  1.0
  O  O41  1  0.891  0.185  0.382  1.0
[/CIF]
.