The compound described by LiY4Ti4(S2O5)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. Y(1) is bonded in a 9-coordinate geometry to five equivalent S(1), one O(1), one O(3), one O(4), and one O(5) atom. Ti(1) is bonded to one S(1), one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted corner-sharing TiSO5 trigonal bipyramids. S(1) is bonded in a 6-coordinate geometry to five equivalent Y(1) and one Ti(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Y(1), and two equivalent Ti(1) atoms to form distorted corner-sharing OLiY2Ti2 trigonal bipyramids. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_LiY4Ti4(S2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.629
_cell_length_b   11.629
_cell_length_c   5.465
_cell_angle_alpha   89.792
_cell_angle_beta   89.792
_cell_angle_gamma   152.821
_symmetry_Int_Tables_number   1
_cell_volume   337.557
_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
  Li  Li0  1  0.500  0.500  0.000  1.0
  Y  Y1  1  0.915  0.583  0.751  1.0
  Y  Y2  1  0.583  0.915  0.751  1.0
  Y  Y3  1  0.417  0.085  0.249  1.0
  Y  Y4  1  0.085  0.417  0.249  1.0
  Ti  Ti5  1  0.163  0.327  0.745  1.0
  Ti  Ti6  1  0.327  0.163  0.745  1.0
  Ti  Ti7  1  0.673  0.837  0.255  1.0
  Ti  Ti8  1  0.837  0.673  0.255  1.0
  S  S9  1  0.047  0.456  0.751  1.0
  S  S10  1  0.456  0.047  0.751  1.0
  S  S11  1  0.544  0.953  0.249  1.0
  S  S12  1  0.953  0.544  0.249  1.0
  O  O13  1  0.399  0.601  0.500  1.0
  O  O14  1  0.258  0.258  0.758  1.0
  O  O15  1  0.101  0.899  0.500  1.0
  O  O16  1  0.595  0.405  0.000  1.0
  O  O17  1  0.742  0.742  0.242  1.0
  O  O18  1  0.899  0.101  0.000  1.0
  O  O19  1  0.899  0.101  0.500  1.0
  O  O20  1  0.601  0.399  0.500  1.0
  O  O21  1  0.101  0.899  0.000  1.0
  O  O22  1  0.405  0.595  0.000  1.0
[/CIF]
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The compound described by LiY4Ti4(S2O5)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. Y(1) is bonded in a 9-coordinate geometry to five equivalent S(1), one O(1), one O(3), one O(4), and one O(5) atom. Ti(1) is bonded to one S(1), one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted corner-sharing TiSO5 trigonal bipyramids. S(1) is bonded in a 6-coordinate geometry to five equivalent Y(1) and one Ti(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Y(1), and two equivalent Ti(1) atoms to form distorted corner-sharing OLiY2Ti2 trigonal bipyramids. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_LiY4Ti4(S2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.629
_cell_length_b   11.629
_cell_length_c   5.465
_cell_angle_alpha   89.792
_cell_angle_beta   89.792
_cell_angle_gamma   152.821
_symmetry_Int_Tables_number   1
_cell_volume   337.557
_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
  Li  Li0  1  0.500  0.500  0.000  1.0
  Y  Y1  1  0.915  0.583  0.751  1.0
  Y  Y2  1  0.583  0.915  0.751  1.0
  Y  Y3  1  0.417  0.085  0.249  1.0
  Y  Y4  1  0.085  0.417  0.249  1.0
  Ti  Ti5  1  0.163  0.327  0.745  1.0
  Ti  Ti6  1  0.327  0.163  0.745  1.0
  Ti  Ti7  1  0.673  0.837  0.255  1.0
  Ti  Ti8  1  0.837  0.673  0.255  1.0
  S  S9  1  0.047  0.456  0.751  1.0
  S  S10  1  0.456  0.047  0.751  1.0
  S  S11  1  0.544  0.953  0.249  1.0
  S  S12  1  0.953  0.544  0.249  1.0
  O  O13  1  0.399  0.601  0.500  1.0
  O  O14  1  0.258  0.258  0.758  1.0
  O  O15  1  0.101  0.899  0.500  1.0
  O  O16  1  0.595  0.405  0.000  1.0
  O  O17  1  0.742  0.742  0.242  1.0
  O  O18  1  0.899  0.101  0.000  1.0
  O  O19  1  0.899  0.101  0.500  1.0
  O  O20  1  0.601  0.399  0.500  1.0
  O  O21  1  0.101  0.899  0.000  1.0
  O  O22  1  0.405  0.595  0.000  1.0
[/CIF]
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