The compound described by Sr2SnSe3F2 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 4-coordinate geometry to one Se(2), four equivalent Se(1), and four equivalent F(1) atoms. Sn(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form corner-sharing SnSe4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Sn(1) atom. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to two equivalent Sr(1) and two equivalent Sn(1) atoms. F(1) is bonded to four equivalent Sr(1) atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra. is represented by the CIF file [CIF]
data_Sr2SnSe3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.192
_cell_length_b   6.198
_cell_length_c   19.736
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   757.520
_cell_formula_units_Z   4
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  0.505  0.754  0.070  1.0
  Sr  Sr1  1  0.005  0.746  0.930  1.0
  Sr  Sr2  1  0.995  0.254  0.430  1.0
  Sr  Sr3  1  0.495  0.246  0.570  1.0
  Sr  Sr4  1  0.505  0.754  0.430  1.0
  Sr  Sr5  1  0.005  0.746  0.570  1.0
  Sr  Sr6  1  0.995  0.254  0.070  1.0
  Sr  Sr7  1  0.495  0.246  0.930  1.0
  Sn  Sn8  1  0.580  0.146  0.250  1.0
  Sn  Sn9  1  0.080  0.354  0.750  1.0
  Sn  Sn10  1  0.920  0.646  0.250  1.0
  Sn  Sn11  1  0.420  0.854  0.750  1.0
  Se  Se12  1  0.487  0.257  0.369  1.0
  Se  Se13  1  0.987  0.243  0.631  1.0
  Se  Se14  1  0.013  0.757  0.131  1.0
  Se  Se15  1  0.513  0.743  0.869  1.0
  Se  Se16  1  0.507  0.733  0.250  1.0
  Se  Se17  1  0.007  0.767  0.750  1.0
  Se  Se18  1  0.993  0.233  0.250  1.0
  Se  Se19  1  0.493  0.267  0.750  1.0
  Se  Se20  1  0.487  0.257  0.131  1.0
  Se  Se21  1  0.987  0.243  0.869  1.0
  Se  Se22  1  0.013  0.757  0.369  1.0
  Se  Se23  1  0.513  0.743  0.631  1.0
  F  F24  1  0.253  0.499  0.499  1.0
  F  F25  1  0.753  0.001  0.501  1.0
  F  F26  1  0.247  0.999  0.001  1.0
  F  F27  1  0.747  0.501  0.999  1.0
  F  F28  1  0.747  0.501  0.501  1.0
  F  F29  1  0.247  0.999  0.499  1.0
  F  F30  1  0.753  0.001  0.999  1.0
  F  F31  1  0.253  0.499  0.001  1.0
[/CIF]
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The compound described by Sr2SnSe3F2 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 4-coordinate geometry to one Se(2), four equivalent Se(1), and four equivalent F(1) atoms. Sn(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form corner-sharing SnSe4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Sn(1) atom. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to two equivalent Sr(1) and two equivalent Sn(1) atoms. F(1) is bonded to four equivalent Sr(1) atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra. is represented by the CIF file [CIF]
data_Sr2SnSe3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.192
_cell_length_b   6.198
_cell_length_c   19.736
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   757.520
_cell_formula_units_Z   4
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  0.505  0.754  0.070  1.0
  Sr  Sr1  1  0.005  0.746  0.930  1.0
  Sr  Sr2  1  0.995  0.254  0.430  1.0
  Sr  Sr3  1  0.495  0.246  0.570  1.0
  Sr  Sr4  1  0.505  0.754  0.430  1.0
  Sr  Sr5  1  0.005  0.746  0.570  1.0
  Sr  Sr6  1  0.995  0.254  0.070  1.0
  Sr  Sr7  1  0.495  0.246  0.930  1.0
  Sn  Sn8  1  0.580  0.146  0.250  1.0
  Sn  Sn9  1  0.080  0.354  0.750  1.0
  Sn  Sn10  1  0.920  0.646  0.250  1.0
  Sn  Sn11  1  0.420  0.854  0.750  1.0
  Se  Se12  1  0.487  0.257  0.369  1.0
  Se  Se13  1  0.987  0.243  0.631  1.0
  Se  Se14  1  0.013  0.757  0.131  1.0
  Se  Se15  1  0.513  0.743  0.869  1.0
  Se  Se16  1  0.507  0.733  0.250  1.0
  Se  Se17  1  0.007  0.767  0.750  1.0
  Se  Se18  1  0.993  0.233  0.250  1.0
  Se  Se19  1  0.493  0.267  0.750  1.0
  Se  Se20  1  0.487  0.257  0.131  1.0
  Se  Se21  1  0.987  0.243  0.869  1.0
  Se  Se22  1  0.013  0.757  0.369  1.0
  Se  Se23  1  0.513  0.743  0.631  1.0
  F  F24  1  0.253  0.499  0.499  1.0
  F  F25  1  0.753  0.001  0.501  1.0
  F  F26  1  0.247  0.999  0.001  1.0
  F  F27  1  0.747  0.501  0.999  1.0
  F  F28  1  0.747  0.501  0.501  1.0
  F  F29  1  0.247  0.999  0.499  1.0
  F  F30  1  0.753  0.001  0.999  1.0
  F  F31  1  0.253  0.499  0.001  1.0
[/CIF]
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