The structure described by CsTi2Cl7 crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), two equivalent Cl(4), and four equivalent Cl(5) atoms to form CsCl12 cuboctahedra that share corners with two equivalent Cs(1)Cl12 cuboctahedra, corners with eight equivalent Ti(1)Cl6 octahedra, edges with four equivalent Cs(1)Cl12 cuboctahedra, and faces with four equivalent Ti(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. Ti(1) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(5), and two equivalent Cl(4) atoms to form TiCl6 octahedra that share corners with four equivalent Cs(1)Cl12 cuboctahedra,  an edgeedge with one Ti(1)Cl6 octahedra, faces with two equivalent Cs(1)Cl12 cuboctahedra, and  a faceface with one Ti(1)Cl6 octahedra. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1) and two equivalent Ti(1) atoms. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1) and two equivalent Ti(1) atoms. In the third Cl site, Cl(3) is bonded in a 2-coordinate geometry to two equivalent Cs(1) and two equivalent Ti(1) atoms. In the fourth Cl site, Cl(4) is bonded in a distorted L-shaped geometry to one Cs(1) and two equivalent Ti(1) atoms. In the fifth Cl site, Cl(5) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Ti(1) atom. is represented by the CIF file [CIF]
data_CsTi2Cl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.370
_cell_length_b   6.491
_cell_length_c   7.378
_cell_angle_alpha   87.113
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   543.879
_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
  Cs  Cs0  1  0.750  0.065  0.629  1.0
  Cs  Cs1  1  0.250  0.935  0.371  1.0
  Ti  Ti2  1  0.885  0.415  0.128  1.0
  Ti  Ti3  1  0.385  0.585  0.872  1.0
  Ti  Ti4  1  0.115  0.585  0.872  1.0
  Ti  Ti5  1  0.615  0.415  0.128  1.0
  Cl  Cl6  1  0.750  0.559  0.893  1.0
  Cl  Cl7  1  0.250  0.441  0.107  1.0
  Cl  Cl8  1  0.750  0.556  0.350  1.0
  Cl  Cl9  1  0.250  0.444  0.650  1.0
  Cl  Cl10  1  0.750  0.117  0.130  1.0
  Cl  Cl11  1  0.250  0.883  0.870  1.0
  Cl  Cl12  1  0.003  0.268  0.890  1.0
  Cl  Cl13  1  0.503  0.732  0.110  1.0
  Cl  Cl14  1  0.997  0.732  0.110  1.0
  Cl  Cl15  1  0.497  0.268  0.890  1.0
  Cl  Cl16  1  0.997  0.259  0.356  1.0
  Cl  Cl17  1  0.497  0.741  0.644  1.0
  Cl  Cl18  1  0.003  0.741  0.644  1.0
  Cl  Cl19  1  0.503  0.259  0.356  1.0
[/CIF]
.
The structure described by CsTi2Cl7 crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), two equivalent Cl(4), and four equivalent Cl(5) atoms to form CsCl12 cuboctahedra that share corners with two equivalent Cs(1)Cl12 cuboctahedra, corners with eight equivalent Ti(1)Cl6 octahedra, edges with four equivalent Cs(1)Cl12 cuboctahedra, and faces with four equivalent Ti(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. Ti(1) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(5), and two equivalent Cl(4) atoms to form TiCl6 octahedra that share corners with four equivalent Cs(1)Cl12 cuboctahedra,  an edgeedge with one Ti(1)Cl6 octahedra, faces with two equivalent Cs(1)Cl12 cuboctahedra, and  a faceface with one Ti(1)Cl6 octahedra. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1) and two equivalent Ti(1) atoms. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1) and two equivalent Ti(1) atoms. In the third Cl site, Cl(3) is bonded in a 2-coordinate geometry to two equivalent Cs(1) and two equivalent Ti(1) atoms. In the fourth Cl site, Cl(4) is bonded in a distorted L-shaped geometry to one Cs(1) and two equivalent Ti(1) atoms. In the fifth Cl site, Cl(5) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Ti(1) atom. is represented by the CIF file [CIF]
data_CsTi2Cl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.370
_cell_length_b   6.491
_cell_length_c   7.378
_cell_angle_alpha   87.113
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   543.879
_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
  Cs  Cs0  1  0.750  0.065  0.629  1.0
  Cs  Cs1  1  0.250  0.935  0.371  1.0
  Ti  Ti2  1  0.885  0.415  0.128  1.0
  Ti  Ti3  1  0.385  0.585  0.872  1.0
  Ti  Ti4  1  0.115  0.585  0.872  1.0
  Ti  Ti5  1  0.615  0.415  0.128  1.0
  Cl  Cl6  1  0.750  0.559  0.893  1.0
  Cl  Cl7  1  0.250  0.441  0.107  1.0
  Cl  Cl8  1  0.750  0.556  0.350  1.0
  Cl  Cl9  1  0.250  0.444  0.650  1.0
  Cl  Cl10  1  0.750  0.117  0.130  1.0
  Cl  Cl11  1  0.250  0.883  0.870  1.0
  Cl  Cl12  1  0.003  0.268  0.890  1.0
  Cl  Cl13  1  0.503  0.732  0.110  1.0
  Cl  Cl14  1  0.997  0.732  0.110  1.0
  Cl  Cl15  1  0.497  0.268  0.890  1.0
  Cl  Cl16  1  0.997  0.259  0.356  1.0
  Cl  Cl17  1  0.497  0.741  0.644  1.0
  Cl  Cl18  1  0.003  0.741  0.644  1.0
  Cl  Cl19  1  0.503  0.259  0.356  1.0
[/CIF]
.