The compound described by K2Se3 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent Se(1) and six equivalent Se(2) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Se(1) and six equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), and two equivalent Se(2) atoms. In the second Se site, Se(2) is bonded to three equivalent K(1), three equivalent K(2), and one Se(1) atom to form a mixture of distorted face, corner, and edge-sharing SeK6Se pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.511
_cell_length_b   6.511
_cell_length_c   7.690
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   107.866
_symmetry_Int_Tables_number   1
_cell_volume   310.287
_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  0.099  0.901  0.872  1.0
  K  K1  1  0.901  0.099  0.372  1.0
  K  K2  1  0.587  0.413  0.150  1.0
  K  K3  1  0.413  0.587  0.650  1.0
  Se  Se4  1  0.792  0.208  0.818  1.0
  Se  Se5  1  0.208  0.792  0.318  1.0
  Se  Se6  1  0.086  0.404  0.999  1.0
  Se  Se7  1  0.914  0.596  0.499  1.0
  Se  Se8  1  0.596  0.914  0.999  1.0
  Se  Se9  1  0.404  0.086  0.499  1.0
[/CIF]
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The compound described by K2Se3 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent Se(1) and six equivalent Se(2) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Se(1) and six equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), and two equivalent Se(2) atoms. In the second Se site, Se(2) is bonded to three equivalent K(1), three equivalent K(2), and one Se(1) atom to form a mixture of distorted face, corner, and edge-sharing SeK6Se pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.511
_cell_length_b   6.511
_cell_length_c   7.690
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   107.866
_symmetry_Int_Tables_number   1
_cell_volume   310.287
_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  0.099  0.901  0.872  1.0
  K  K1  1  0.901  0.099  0.372  1.0
  K  K2  1  0.587  0.413  0.150  1.0
  K  K3  1  0.413  0.587  0.650  1.0
  Se  Se4  1  0.792  0.208  0.818  1.0
  Se  Se5  1  0.208  0.792  0.318  1.0
  Se  Se6  1  0.086  0.404  0.999  1.0
  Se  Se7  1  0.914  0.596  0.499  1.0
  Se  Se8  1  0.596  0.914  0.999  1.0
  Se  Se9  1  0.404  0.086  0.499  1.0
[/CIF]
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