The structure described by Rb2Sn2Se5 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded in a 6-coordinate geometry to two equivalent Se(1), three equivalent Se(3), and four equivalent Se(2) atoms. Sn(1) is bonded to one Se(1), two equivalent Se(2), and two equivalent Se(3) atoms to form a mixture of corner and edge-sharing SnSe5 trigonal bipyramids. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to four equivalent Rb(1) and two equivalent Sn(1) atoms. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to four equivalent Rb(1) and two equivalent Sn(1) atoms. In the third Se site, Se(3) is bonded to three equivalent Rb(1) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing SeRb3Sn2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Sn2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.233
_cell_length_b   7.233
_cell_length_c   12.249
_cell_angle_alpha   75.224
_cell_angle_beta   75.224
_cell_angle_gamma   72.844
_symmetry_Int_Tables_number   1
_cell_volume   580.688
_cell_formula_units_Z   2
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
  Rb  Rb0  1  0.939  0.594  0.821  1.0
  Rb  Rb1  1  0.406  0.061  0.679  1.0
  Rb  Rb2  1  0.061  0.406  0.179  1.0
  Rb  Rb3  1  0.594  0.939  0.321  1.0
  Sn  Sn4  1  0.446  0.746  0.057  1.0
  Sn  Sn5  1  0.254  0.554  0.443  1.0
  Sn  Sn6  1  0.554  0.254  0.943  1.0
  Sn  Sn7  1  0.746  0.446  0.557  1.0
  Se  Se8  1  0.195  0.805  0.250  1.0
  Se  Se9  1  0.805  0.195  0.750  1.0
  Se  Se10  1  0.378  0.645  0.885  1.0
  Se  Se11  1  0.355  0.622  0.615  1.0
  Se  Se12  1  0.622  0.355  0.115  1.0
  Se  Se13  1  0.645  0.378  0.385  1.0
  Se  Se14  1  0.753  0.869  0.033  1.0
  Se  Se15  1  0.131  0.247  0.467  1.0
  Se  Se16  1  0.869  0.753  0.533  1.0
  Se  Se17  1  0.247  0.131  0.967  1.0
[/CIF]
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The structure described by Rb2Sn2Se5 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded in a 6-coordinate geometry to two equivalent Se(1), three equivalent Se(3), and four equivalent Se(2) atoms. Sn(1) is bonded to one Se(1), two equivalent Se(2), and two equivalent Se(3) atoms to form a mixture of corner and edge-sharing SnSe5 trigonal bipyramids. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to four equivalent Rb(1) and two equivalent Sn(1) atoms. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to four equivalent Rb(1) and two equivalent Sn(1) atoms. In the third Se site, Se(3) is bonded to three equivalent Rb(1) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing SeRb3Sn2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Sn2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.233
_cell_length_b   7.233
_cell_length_c   12.249
_cell_angle_alpha   75.224
_cell_angle_beta   75.224
_cell_angle_gamma   72.844
_symmetry_Int_Tables_number   1
_cell_volume   580.688
_cell_formula_units_Z   2
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
  Rb  Rb0  1  0.939  0.594  0.821  1.0
  Rb  Rb1  1  0.406  0.061  0.679  1.0
  Rb  Rb2  1  0.061  0.406  0.179  1.0
  Rb  Rb3  1  0.594  0.939  0.321  1.0
  Sn  Sn4  1  0.446  0.746  0.057  1.0
  Sn  Sn5  1  0.254  0.554  0.443  1.0
  Sn  Sn6  1  0.554  0.254  0.943  1.0
  Sn  Sn7  1  0.746  0.446  0.557  1.0
  Se  Se8  1  0.195  0.805  0.250  1.0
  Se  Se9  1  0.805  0.195  0.750  1.0
  Se  Se10  1  0.378  0.645  0.885  1.0
  Se  Se11  1  0.355  0.622  0.615  1.0
  Se  Se12  1  0.622  0.355  0.115  1.0
  Se  Se13  1  0.645  0.378  0.385  1.0
  Se  Se14  1  0.753  0.869  0.033  1.0
  Se  Se15  1  0.131  0.247  0.467  1.0
  Se  Se16  1  0.869  0.753  0.533  1.0
  Se  Se17  1  0.247  0.131  0.967  1.0
[/CIF]
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