The material structure described by MgY2Ti2S2O5 crystallizes in the tetragonal I-4m2 space group. Mg(1) is bonded to four equivalent S(1) atoms to form corner-sharing MgS4 tetrahedra. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 4-coordinate geometry to four equivalent S(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Y site, Y(1) is bonded in a 4-coordinate geometry to four equivalent S(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Y site, Y(1) is bonded in a 4-coordinate geometry to four equivalent S(1), two equivalent O(2), and two equivalent O(3) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. S(1) is bonded in a distorted water-like geometry to two equivalent Mg(1) and four equivalent Y(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OY2Ti2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Y(1) and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OY2Ti2 tetrahedra. is represented by the CIF file [CIF]
data_Y2MgTi2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.151
_cell_length_b   14.151
_cell_length_c   14.151
_cell_angle_alpha   164.541
_cell_angle_beta   164.543
_cell_angle_gamma   21.929
_symmetry_Int_Tables_number   1
_cell_volume   201.280
_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
  Y  Y0  1  0.364  0.364  0.000  1.0
  Y  Y1  1  0.636  0.636  0.000  1.0
  Mg  Mg2  1  0.750  0.250  0.500  1.0
  Ti  Ti3  1  0.066  0.066  0.000  1.0
  Ti  Ti4  1  0.934  0.934  0.000  1.0
  S  S5  1  0.192  0.192  0.000  1.0
  S  S6  1  0.808  0.808  0.000  1.0
  O  O7  1  1.000  1.000  0.000  1.0
  O  O8  1  0.593  0.093  0.500  1.0
  O  O9  1  0.907  0.407  0.500  1.0
  O  O10  1  0.092  0.592  0.500  1.0
  O  O11  1  0.408  0.908  0.500  1.0
[/CIF]
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The material structure described by MgY2Ti2S2O5 crystallizes in the tetragonal I-4m2 space group. Mg(1) is bonded to four equivalent S(1) atoms to form corner-sharing MgS4 tetrahedra. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 4-coordinate geometry to four equivalent S(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Y site, Y(1) is bonded in a 4-coordinate geometry to four equivalent S(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Y site, Y(1) is bonded in a 4-coordinate geometry to four equivalent S(1), two equivalent O(2), and two equivalent O(3) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. S(1) is bonded in a distorted water-like geometry to two equivalent Mg(1) and four equivalent Y(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OY2Ti2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Y(1) and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OY2Ti2 tetrahedra. is represented by the CIF file [CIF]
data_Y2MgTi2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.151
_cell_length_b   14.151
_cell_length_c   14.151
_cell_angle_alpha   164.541
_cell_angle_beta   164.543
_cell_angle_gamma   21.929
_symmetry_Int_Tables_number   1
_cell_volume   201.280
_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
  Y  Y0  1  0.364  0.364  0.000  1.0
  Y  Y1  1  0.636  0.636  0.000  1.0
  Mg  Mg2  1  0.750  0.250  0.500  1.0
  Ti  Ti3  1  0.066  0.066  0.000  1.0
  Ti  Ti4  1  0.934  0.934  0.000  1.0
  S  S5  1  0.192  0.192  0.000  1.0
  S  S6  1  0.808  0.808  0.000  1.0
  O  O7  1  1.000  1.000  0.000  1.0
  O  O8  1  0.593  0.093  0.500  1.0
  O  O9  1  0.907  0.407  0.500  1.0
  O  O10  1  0.092  0.592  0.500  1.0
  O  O11  1  0.408  0.908  0.500  1.0
[/CIF]
.