The crystal structure described by K(SbSe2)2 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 8-coordinate geometry to one Se(1), two equivalent Se(2), two equivalent Se(3), and three equivalent Se(4) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted see-saw-like geometry to one Se(1), one Se(2), one Se(3), and one Se(4) atom. In the second Sb site, Sb(2) is bonded in a rectangular see-saw-like geometry to one Se(2), one Se(4), and two equivalent Se(1) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Sb(1), and two equivalent Sb(2) atoms. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Sb(1), and one Sb(2) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Sb(1), and one Se(3) atom. In the fourth Se site, Se(4) is bonded in a 5-coordinate geometry to three equivalent K(1), one Sb(1), and one Sb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K(SbSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.814
_cell_length_b   6.965
_cell_length_c   9.474
_cell_angle_alpha   80.385
_cell_angle_beta   84.534
_cell_angle_gamma   76.209
_symmetry_Int_Tables_number   1
_cell_volume   429.800
_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
  K  K0  1  0.803  0.816  0.430  1.0
  K  K1  1  0.197  0.184  0.570  1.0
  Sb  Sb2  1  0.582  0.395  0.831  1.0
  Sb  Sb3  1  0.418  0.605  0.169  1.0
  Sb  Sb4  1  0.847  0.813  0.951  1.0
  Sb  Sb5  1  0.153  0.187  0.049  1.0
  Se  Se6  1  0.209  0.855  0.882  1.0
  Se  Se7  1  0.791  0.145  0.118  1.0
  Se  Se8  1  0.085  0.483  0.230  1.0
  Se  Se9  1  0.915  0.517  0.770  1.0
  Se  Se10  1  0.599  0.412  0.409  1.0
  Se  Se11  1  0.401  0.588  0.591  1.0
  Se  Se12  1  0.689  0.063  0.724  1.0
  Se  Se13  1  0.311  0.937  0.276  1.0
[/CIF]
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The crystal structure described by K(SbSe2)2 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 8-coordinate geometry to one Se(1), two equivalent Se(2), two equivalent Se(3), and three equivalent Se(4) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted see-saw-like geometry to one Se(1), one Se(2), one Se(3), and one Se(4) atom. In the second Sb site, Sb(2) is bonded in a rectangular see-saw-like geometry to one Se(2), one Se(4), and two equivalent Se(1) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Sb(1), and two equivalent Sb(2) atoms. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Sb(1), and one Sb(2) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Sb(1), and one Se(3) atom. In the fourth Se site, Se(4) is bonded in a 5-coordinate geometry to three equivalent K(1), one Sb(1), and one Sb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K(SbSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.814
_cell_length_b   6.965
_cell_length_c   9.474
_cell_angle_alpha   80.385
_cell_angle_beta   84.534
_cell_angle_gamma   76.209
_symmetry_Int_Tables_number   1
_cell_volume   429.800
_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
  K  K0  1  0.803  0.816  0.430  1.0
  K  K1  1  0.197  0.184  0.570  1.0
  Sb  Sb2  1  0.582  0.395  0.831  1.0
  Sb  Sb3  1  0.418  0.605  0.169  1.0
  Sb  Sb4  1  0.847  0.813  0.951  1.0
  Sb  Sb5  1  0.153  0.187  0.049  1.0
  Se  Se6  1  0.209  0.855  0.882  1.0
  Se  Se7  1  0.791  0.145  0.118  1.0
  Se  Se8  1  0.085  0.483  0.230  1.0
  Se  Se9  1  0.915  0.517  0.770  1.0
  Se  Se10  1  0.599  0.412  0.409  1.0
  Se  Se11  1  0.401  0.588  0.591  1.0
  Se  Se12  1  0.689  0.063  0.724  1.0
  Se  Se13  1  0.311  0.937  0.276  1.0
[/CIF]
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