The structure described by RbTiCl3 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded to four equivalent Cl(1) and eight equivalent Cl(2) atoms to form RbCl12 cuboctahedra that share corners with six equivalent Rb(1)Cl12 cuboctahedra, corners with six equivalent Ti(1)Cl6 octahedra, faces with eight equivalent Rb(1)Cl12 cuboctahedra, and faces with six equivalent Ti(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 19°. Ti(1) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form TiCl6 octahedra that share corners with six equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, and faces with two equivalent Ti(1)Cl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent Rb(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner, face, and edge-sharing ClRb4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-73°. In the second Cl site, Cl(2) is bonded to four equivalent Rb(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner, face, and edge-sharing ClRb4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-73°. is represented by the CIF file [CIF]
data_RbTiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.231
_cell_length_b   7.232
_cell_length_c   5.706
_cell_angle_alpha   90.101
_cell_angle_beta   89.769
_cell_angle_gamma   120.004
_symmetry_Int_Tables_number   1
_cell_volume   258.408
_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
  Rb  Rb0  1  0.667  0.333  0.250  1.0
  Rb  Rb1  1  0.333  0.667  0.750  1.0
  Ti  Ti2  1  0.000  1.000  0.500  1.0
  Ti  Ti3  1  1.000  1.000  0.000  1.0
  Cl  Cl4  1  0.835  0.670  0.750  1.0
  Cl  Cl5  1  0.165  0.835  0.251  1.0
  Cl  Cl6  1  0.670  0.835  0.249  1.0
  Cl  Cl7  1  0.330  0.165  0.751  1.0
  Cl  Cl8  1  0.165  0.330  0.250  1.0
  Cl  Cl9  1  0.835  0.165  0.749  1.0
[/CIF]
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The structure described by RbTiCl3 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded to four equivalent Cl(1) and eight equivalent Cl(2) atoms to form RbCl12 cuboctahedra that share corners with six equivalent Rb(1)Cl12 cuboctahedra, corners with six equivalent Ti(1)Cl6 octahedra, faces with eight equivalent Rb(1)Cl12 cuboctahedra, and faces with six equivalent Ti(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 19°. Ti(1) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form TiCl6 octahedra that share corners with six equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, and faces with two equivalent Ti(1)Cl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent Rb(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner, face, and edge-sharing ClRb4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-73°. In the second Cl site, Cl(2) is bonded to four equivalent Rb(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner, face, and edge-sharing ClRb4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-73°. is represented by the CIF file [CIF]
data_RbTiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.231
_cell_length_b   7.232
_cell_length_c   5.706
_cell_angle_alpha   90.101
_cell_angle_beta   89.769
_cell_angle_gamma   120.004
_symmetry_Int_Tables_number   1
_cell_volume   258.408
_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
  Rb  Rb0  1  0.667  0.333  0.250  1.0
  Rb  Rb1  1  0.333  0.667  0.750  1.0
  Ti  Ti2  1  0.000  1.000  0.500  1.0
  Ti  Ti3  1  1.000  1.000  0.000  1.0
  Cl  Cl4  1  0.835  0.670  0.750  1.0
  Cl  Cl5  1  0.165  0.835  0.251  1.0
  Cl  Cl6  1  0.670  0.835  0.249  1.0
  Cl  Cl7  1  0.330  0.165  0.751  1.0
  Cl  Cl8  1  0.165  0.330  0.250  1.0
  Cl  Cl9  1  0.835  0.165  0.749  1.0
[/CIF]
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