The structure described by MgPr2Ti2S2O5 crystallizes in the tetragonal I4/mmm space group. The structure consists of two 7439-95-4 atoms inside a Pr2Ti2S2O5 framework. In the Pr2Ti2S2O5 framework, Pr(1) is bonded in a 9-coordinate geometry to five equivalent S(1) and four equivalent O(1) atoms. Ti(1) is bonded to one S(1), one O(2), and four equivalent O(1) atoms to form distorted corner-sharing TiSO5 square pyramids. S(1) is bonded to five equivalent Pr(1) and one Ti(1) atom to form a mixture of distorted corner and edge-sharing SPr5Ti pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Pr(1) and two equivalent Ti(1) atoms. In the second O site, O(2) 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   3.983
_cell_length_b   3.983
_cell_length_c   11.750
_cell_angle_alpha   99.757
_cell_angle_beta   99.757
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.922
_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  0.665  0.665  0.330  1.0
  Pr  Pr1  1  0.335  0.335  0.670  1.0
  Mg  Mg2  1  0.500  0.500  1.000  1.0
  Ti  Ti3  1  0.084  0.084  0.168  1.0
  Ti  Ti4  1  0.916  0.916  0.832  1.0
  S  S5  1  0.798  0.798  0.595  1.0
  S  S6  1  0.202  0.202  0.405  1.0
  O  O7  1  0.593  0.093  0.186  1.0
  O  O8  1  0.407  0.907  0.814  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.907  0.407  0.814  1.0
  O  O11  1  0.093  0.593  0.186  1.0
[/CIF]
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The structure described by MgPr2Ti2S2O5 crystallizes in the tetragonal I4/mmm space group. The structure consists of two 7439-95-4 atoms inside a Pr2Ti2S2O5 framework. In the Pr2Ti2S2O5 framework, Pr(1) is bonded in a 9-coordinate geometry to five equivalent S(1) and four equivalent O(1) atoms. Ti(1) is bonded to one S(1), one O(2), and four equivalent O(1) atoms to form distorted corner-sharing TiSO5 square pyramids. S(1) is bonded to five equivalent Pr(1) and one Ti(1) atom to form a mixture of distorted corner and edge-sharing SPr5Ti pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Pr(1) and two equivalent Ti(1) atoms. In the second O site, O(2) 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   3.983
_cell_length_b   3.983
_cell_length_c   11.750
_cell_angle_alpha   99.757
_cell_angle_beta   99.757
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.922
_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  0.665  0.665  0.330  1.0
  Pr  Pr1  1  0.335  0.335  0.670  1.0
  Mg  Mg2  1  0.500  0.500  1.000  1.0
  Ti  Ti3  1  0.084  0.084  0.168  1.0
  Ti  Ti4  1  0.916  0.916  0.832  1.0
  S  S5  1  0.798  0.798  0.595  1.0
  S  S6  1  0.202  0.202  0.405  1.0
  O  O7  1  0.593  0.093  0.186  1.0
  O  O8  1  0.407  0.907  0.814  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.907  0.407  0.814  1.0
  O  O11  1  0.093  0.593  0.186  1.0
[/CIF]
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