The material structure described by KSbSe2 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one Se(1), one Se(7), one Se(8), two equivalent Se(2), and two equivalent Se(5) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Se(2), one Se(3), one Se(5), two equivalent Se(1), and two equivalent Se(8) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one Se(1), one Se(4), one Se(8), two equivalent Se(3), and two equivalent Se(6) atoms. In the fourth K site, K(4) is bonded in a 7-coordinate geometry to one Se(2), one Se(5), one Se(6), two equivalent Se(4), and two equivalent Se(7) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted rectangular see-saw-like geometry to one Se(1), one Se(2), one Se(4), and one Se(5) atom. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one Se(3), one Se(6), one Se(7), and one Se(8) atom. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to one Se(2), one Se(3), one Se(4), and one Se(7) atom. In the fourth Sb site, Sb(4) is bonded in a distorted rectangular see-saw-like geometry to one Se(1), one Se(5), one Se(6), and one Se(8) atom. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one K(1), one K(3), two equivalent K(2), one Sb(1), and one Sb(4) atom. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to one K(2), one K(4), two equivalent K(1), one Sb(1), and one Sb(3) atom. In the third Se site, Se(3) is bonded to one K(2), two equivalent K(3), one Sb(2), and one Sb(3) atom to form a mixture of corner and edge-sharing SeK3Sb2 trigonal bipyramids. In the fourth Se site, Se(4) is bonded to one K(3), two equivalent K(4), one Sb(1), and one Sb(3) atom to form a mixture of corner and edge-sharing SeK3Sb2 trigonal bipyramids. In the fifth Se site, Se(5) is bonded in a 6-coordinate geometry to one K(2), one K(4), two equivalent K(1), one Sb(1), and one Sb(4) atom. In the sixth Se site, Se(6) is bonded to one K(4), two equivalent K(3), one Sb(2), and one Sb(4) atom to form a mixture of corner and edge-sharing SeK3Sb2 trigonal bipyramids. In the seventh Se site, Se(7) is bonded to one K(1), two equivalent K(4), one Sb(2), and one Sb(3) atom to form a mixture of corner and edge-sharing SeK3Sb2 trigonal bipyramids. In the eighth Se site, Se(8) is bonded in a 6-coordinate geometry to one K(1), one K(3), two equivalent K(2), one Sb(2), and one Sb(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.504
_cell_length_b   6.509
_cell_length_c   12.508
_cell_angle_alpha   99.118
_cell_angle_beta   99.107
_cell_angle_gamma   103.158
_symmetry_Int_Tables_number   1
_cell_volume   498.564
_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
  K  K0  1  0.833  0.884  0.727  1.0
  K  K1  1  0.677  0.347  0.906  1.0
  K  K2  1  0.188  0.294  0.163  1.0
  K  K3  1  0.317  0.936  0.470  1.0
  Sb  Sb4  1  0.175  0.419  0.668  1.0
  Sb  Sb5  1  0.761  0.837  0.229  1.0
  Sb  Sb6  1  0.746  0.390  0.404  1.0
  Sb  Sb7  1  0.336  0.814  0.966  1.0
  Se  Se8  1  0.194  0.402  0.909  1.0
  Se  Se9  1  0.762  0.361  0.642  1.0
  Se  Se10  1  0.726  0.430  0.181  1.0
  Se  Se11  1  0.151  0.401  0.438  1.0
  Se  Se12  1  0.316  0.831  0.724  1.0
  Se  Se13  1  0.356  0.829  0.195  1.0
  Se  Se14  1  0.779  0.797  0.452  1.0
  Se  Se15  1  0.749  0.869  0.992  1.0
[/CIF]
.
The material structure described by KSbSe2 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one Se(1), one Se(7), one Se(8), two equivalent Se(2), and two equivalent Se(5) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Se(2), one Se(3), one Se(5), two equivalent Se(1), and two equivalent Se(8) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one Se(1), one Se(4), one Se(8), two equivalent Se(3), and two equivalent Se(6) atoms. In the fourth K site, K(4) is bonded in a 7-coordinate geometry to one Se(2), one Se(5), one Se(6), two equivalent Se(4), and two equivalent Se(7) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted rectangular see-saw-like geometry to one Se(1), one Se(2), one Se(4), and one Se(5) atom. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one Se(3), one Se(6), one Se(7), and one Se(8) atom. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to one Se(2), one Se(3), one Se(4), and one Se(7) atom. In the fourth Sb site, Sb(4) is bonded in a distorted rectangular see-saw-like geometry to one Se(1), one Se(5), one Se(6), and one Se(8) atom. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one K(1), one K(3), two equivalent K(2), one Sb(1), and one Sb(4) atom. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to one K(2), one K(4), two equivalent K(1), one Sb(1), and one Sb(3) atom. In the third Se site, Se(3) is bonded to one K(2), two equivalent K(3), one Sb(2), and one Sb(3) atom to form a mixture of corner and edge-sharing SeK3Sb2 trigonal bipyramids. In the fourth Se site, Se(4) is bonded to one K(3), two equivalent K(4), one Sb(1), and one Sb(3) atom to form a mixture of corner and edge-sharing SeK3Sb2 trigonal bipyramids. In the fifth Se site, Se(5) is bonded in a 6-coordinate geometry to one K(2), one K(4), two equivalent K(1), one Sb(1), and one Sb(4) atom. In the sixth Se site, Se(6) is bonded to one K(4), two equivalent K(3), one Sb(2), and one Sb(4) atom to form a mixture of corner and edge-sharing SeK3Sb2 trigonal bipyramids. In the seventh Se site, Se(7) is bonded to one K(1), two equivalent K(4), one Sb(2), and one Sb(3) atom to form a mixture of corner and edge-sharing SeK3Sb2 trigonal bipyramids. In the eighth Se site, Se(8) is bonded in a 6-coordinate geometry to one K(1), one K(3), two equivalent K(2), one Sb(2), and one Sb(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.504
_cell_length_b   6.509
_cell_length_c   12.508
_cell_angle_alpha   99.118
_cell_angle_beta   99.107
_cell_angle_gamma   103.158
_symmetry_Int_Tables_number   1
_cell_volume   498.564
_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
  K  K0  1  0.833  0.884  0.727  1.0
  K  K1  1  0.677  0.347  0.906  1.0
  K  K2  1  0.188  0.294  0.163  1.0
  K  K3  1  0.317  0.936  0.470  1.0
  Sb  Sb4  1  0.175  0.419  0.668  1.0
  Sb  Sb5  1  0.761  0.837  0.229  1.0
  Sb  Sb6  1  0.746  0.390  0.404  1.0
  Sb  Sb7  1  0.336  0.814  0.966  1.0
  Se  Se8  1  0.194  0.402  0.909  1.0
  Se  Se9  1  0.762  0.361  0.642  1.0
  Se  Se10  1  0.726  0.430  0.181  1.0
  Se  Se11  1  0.151  0.401  0.438  1.0
  Se  Se12  1  0.316  0.831  0.724  1.0
  Se  Se13  1  0.356  0.829  0.195  1.0
  Se  Se14  1  0.779  0.797  0.452  1.0
  Se  Se15  1  0.749  0.869  0.992  1.0
[/CIF]
.