The material structure described by CsSnSe3 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 7-coordinate geometry to two equivalent Se(1), two equivalent Se(3), and three equivalent Se(2) atoms. Sn(1) is bonded to one Se(2), two equivalent Se(1), and two equivalent Se(3) atoms to form edge-sharing SnSe5 trigonal bipyramids. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and two equivalent Sn(1) atoms. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to three equivalent Cs(1), one Sn(1), and one Se(2) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSnSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.214
_cell_length_b   8.114
_cell_length_c   8.117
_cell_angle_alpha   102.650
_cell_angle_beta   106.499
_cell_angle_gamma   113.740
_symmetry_Int_Tables_number   1
_cell_volume   385.791
_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
  Cs  Cs0  1  0.778  0.150  0.813  1.0
  Cs  Cs1  1  0.222  0.850  0.187  1.0
  Sn  Sn2  1  0.781  0.573  0.493  1.0
  Sn  Sn3  1  0.219  0.427  0.507  1.0
  Se  Se4  1  0.339  0.431  0.238  1.0
  Se  Se5  1  0.810  0.869  0.398  1.0
  Se  Se6  1  0.661  0.569  0.762  1.0
  Se  Se7  1  0.775  0.272  0.296  1.0
  Se  Se8  1  0.225  0.728  0.704  1.0
  Se  Se9  1  0.190  0.131  0.602  1.0
[/CIF]
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The material structure described by CsSnSe3 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 7-coordinate geometry to two equivalent Se(1), two equivalent Se(3), and three equivalent Se(2) atoms. Sn(1) is bonded to one Se(2), two equivalent Se(1), and two equivalent Se(3) atoms to form edge-sharing SnSe5 trigonal bipyramids. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and two equivalent Sn(1) atoms. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to three equivalent Cs(1), one Sn(1), and one Se(2) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSnSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.214
_cell_length_b   8.114
_cell_length_c   8.117
_cell_angle_alpha   102.650
_cell_angle_beta   106.499
_cell_angle_gamma   113.740
_symmetry_Int_Tables_number   1
_cell_volume   385.791
_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
  Cs  Cs0  1  0.778  0.150  0.813  1.0
  Cs  Cs1  1  0.222  0.850  0.187  1.0
  Sn  Sn2  1  0.781  0.573  0.493  1.0
  Sn  Sn3  1  0.219  0.427  0.507  1.0
  Se  Se4  1  0.339  0.431  0.238  1.0
  Se  Se5  1  0.810  0.869  0.398  1.0
  Se  Se6  1  0.661  0.569  0.762  1.0
  Se  Se7  1  0.775  0.272  0.296  1.0
  Se  Se8  1  0.225  0.728  0.704  1.0
  Se  Se9  1  0.190  0.131  0.602  1.0
[/CIF]
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