The structure described by KY2Ti2S2O5 crystallizes in the tetragonal P4/mmm space group. K(1) is bonded in a distorted body-centered cubic geometry to eight equivalent S(1) atoms. Y(1) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. S(1) is bonded in a distorted body-centered cubic geometry to four equivalent K(1) and four equivalent Y(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and two equivalent Ti(1) atoms to form a mixture of edge and corner-sharing OY2Ti2 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KY2Ti2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.734
_cell_length_b   3.734
_cell_length_c   15.014
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.389
_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
  K  K0  1  0.500  0.500  0.500  1.0
  Y  Y1  1  0.500  0.500  0.742  1.0
  Y  Y2  1  0.500  0.500  0.258  1.0
  Ti  Ti3  1  0.000  0.000  0.879  1.0
  Ti  Ti4  1  0.000  0.000  0.121  1.0
  S  S5  1  0.000  0.000  0.350  1.0
  S  S6  1  0.000  0.000  0.650  1.0
  O  O7  1  0.500  0.000  0.833  1.0
  O  O8  1  0.000  0.500  0.833  1.0
  O  O9  1  0.000  0.500  0.167  1.0
  O  O10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.500  0.000  0.167  1.0
[/CIF]
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The structure described by KY2Ti2S2O5 crystallizes in the tetragonal P4/mmm space group. K(1) is bonded in a distorted body-centered cubic geometry to eight equivalent S(1) atoms. Y(1) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. S(1) is bonded in a distorted body-centered cubic geometry to four equivalent K(1) and four equivalent Y(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and two equivalent Ti(1) atoms to form a mixture of edge and corner-sharing OY2Ti2 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KY2Ti2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.734
_cell_length_b   3.734
_cell_length_c   15.014
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.389
_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
  K  K0  1  0.500  0.500  0.500  1.0
  Y  Y1  1  0.500  0.500  0.742  1.0
  Y  Y2  1  0.500  0.500  0.258  1.0
  Ti  Ti3  1  0.000  0.000  0.879  1.0
  Ti  Ti4  1  0.000  0.000  0.121  1.0
  S  S5  1  0.000  0.000  0.350  1.0
  S  S6  1  0.000  0.000  0.650  1.0
  O  O7  1  0.500  0.000  0.833  1.0
  O  O8  1  0.000  0.500  0.833  1.0
  O  O9  1  0.000  0.500  0.167  1.0
  O  O10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.500  0.000  0.167  1.0
[/CIF]
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