The structure described by MgPr2Ti2S2O5 crystallizes in the tetragonal I-4m2 space group. Mg(1) is bonded to four equivalent S(1) atoms to form corner-sharing MgS4 tetrahedra. Pr(1) is bonded in a 4-coordinate geometry to four equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. Ti(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing TiO5 trigonal bipyramids. S(1) is bonded in a distorted water-like geometry to two equivalent Mg(1) and four equivalent Pr(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pr(1) and two equivalent Ti(1) atoms to form a mixture of edge and corner-sharing OPr2Ti2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Pr(1) and two equivalent Ti(1) atoms to form a mixture of edge and corner-sharing OPr2Ti2 tetrahedra. In the third O site, O(3) is bonded in a linear geometry to two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Pr2MgTi2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.882
_cell_length_b   3.881
_cell_length_c   14.333
_cell_angle_alpha   97.781
_cell_angle_beta   97.783
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.927
_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
  Pr  Pr0  1  0.637  0.637  0.273  1.0
  Pr  Pr1  1  0.363  0.363  0.727  1.0
  Mg  Mg2  1  0.250  0.750  0.500  1.0
  Ti  Ti3  1  0.065  0.065  0.129  1.0
  Ti  Ti4  1  0.935  0.935  0.871  1.0
  S  S5  1  0.806  0.806  0.613  1.0
  S  S6  1  0.194  0.194  0.387  1.0
  O  O7  1  0.588  0.088  0.177  1.0
  O  O8  1  0.411  0.911  0.822  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.912  0.412  0.823  1.0
  O  O11  1  0.089  0.589  0.178  1.0
[/CIF]
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The structure described by MgPr2Ti2S2O5 crystallizes in the tetragonal I-4m2 space group. Mg(1) is bonded to four equivalent S(1) atoms to form corner-sharing MgS4 tetrahedra. Pr(1) is bonded in a 4-coordinate geometry to four equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. Ti(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing TiO5 trigonal bipyramids. S(1) is bonded in a distorted water-like geometry to two equivalent Mg(1) and four equivalent Pr(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pr(1) and two equivalent Ti(1) atoms to form a mixture of edge and corner-sharing OPr2Ti2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Pr(1) and two equivalent Ti(1) atoms to form a mixture of edge and corner-sharing OPr2Ti2 tetrahedra. In the third O site, O(3) is bonded in a linear geometry to two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Pr2MgTi2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.882
_cell_length_b   3.881
_cell_length_c   14.333
_cell_angle_alpha   97.781
_cell_angle_beta   97.783
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.927
_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
  Pr  Pr0  1  0.637  0.637  0.273  1.0
  Pr  Pr1  1  0.363  0.363  0.727  1.0
  Mg  Mg2  1  0.250  0.750  0.500  1.0
  Ti  Ti3  1  0.065  0.065  0.129  1.0
  Ti  Ti4  1  0.935  0.935  0.871  1.0
  S  S5  1  0.806  0.806  0.613  1.0
  S  S6  1  0.194  0.194  0.387  1.0
  O  O7  1  0.588  0.088  0.177  1.0
  O  O8  1  0.411  0.911  0.822  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.912  0.412  0.823  1.0
  O  O11  1  0.089  0.589  0.178  1.0
[/CIF]
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