The material described by Sr3Se2(O3Cl)2 crystallizes in the monoclinic C2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and three equivalent Cl(1) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), two equivalent Sr(1), and one Se(1) atom to form a mixture of corner and edge-sharing OSr3Se tetrahedra. In the second O site, O(2) is bonded to one Sr(2), two equivalent Sr(1), and one Se(1) atom to form a mixture of corner and edge-sharing OSr3Se tetrahedra. In the third O site, O(3) is bonded in a distorted linear geometry to one Sr(1) and one Se(1) atom. Cl(1) is bonded in a see-saw-like geometry to one Sr(2) and three equivalent Sr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Se2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.262
_cell_length_b   7.262
_cell_length_c   6.787
_cell_angle_alpha   84.248
_cell_angle_beta   84.248
_cell_angle_gamma   45.687
_symmetry_Int_Tables_number   1
_cell_volume   254.580
_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
  Sr  Sr0  1  0.287  0.289  0.212  1.0
  Sr  Sr1  1  0.711  0.713  0.788  1.0
  Sr  Sr2  1  0.983  0.017  0.000  1.0
  Se  Se3  1  0.402  0.405  0.735  1.0
  Se  Se4  1  0.595  0.598  0.265  1.0
  Cl  Cl5  1  0.160  0.161  0.625  1.0
  Cl  Cl6  1  0.839  0.840  0.375  1.0
  O  O7  1  0.878  0.408  0.115  1.0
  O  O8  1  0.405  0.880  0.115  1.0
  O  O9  1  0.120  0.595  0.885  1.0
  O  O10  1  0.592  0.122  0.885  1.0
  O  O11  1  0.476  0.470  0.228  1.0
  O  O12  1  0.530  0.524  0.772  1.0
[/CIF]
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The material described by Sr3Se2(O3Cl)2 crystallizes in the monoclinic C2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and three equivalent Cl(1) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), two equivalent Sr(1), and one Se(1) atom to form a mixture of corner and edge-sharing OSr3Se tetrahedra. In the second O site, O(2) is bonded to one Sr(2), two equivalent Sr(1), and one Se(1) atom to form a mixture of corner and edge-sharing OSr3Se tetrahedra. In the third O site, O(3) is bonded in a distorted linear geometry to one Sr(1) and one Se(1) atom. Cl(1) is bonded in a see-saw-like geometry to one Sr(2) and three equivalent Sr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Se2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.262
_cell_length_b   7.262
_cell_length_c   6.787
_cell_angle_alpha   84.248
_cell_angle_beta   84.248
_cell_angle_gamma   45.687
_symmetry_Int_Tables_number   1
_cell_volume   254.580
_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
  Sr  Sr0  1  0.287  0.289  0.212  1.0
  Sr  Sr1  1  0.711  0.713  0.788  1.0
  Sr  Sr2  1  0.983  0.017  0.000  1.0
  Se  Se3  1  0.402  0.405  0.735  1.0
  Se  Se4  1  0.595  0.598  0.265  1.0
  Cl  Cl5  1  0.160  0.161  0.625  1.0
  Cl  Cl6  1  0.839  0.840  0.375  1.0
  O  O7  1  0.878  0.408  0.115  1.0
  O  O8  1  0.405  0.880  0.115  1.0
  O  O9  1  0.120  0.595  0.885  1.0
  O  O10  1  0.592  0.122  0.885  1.0
  O  O11  1  0.476  0.470  0.228  1.0
  O  O12  1  0.530  0.524  0.772  1.0
[/CIF]
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