The material described by KSe is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent Se(1) and four equivalent Se(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent Se(1) and four equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded in a 7-coordinate geometry to three equivalent K(1), three equivalent K(2), and one Se(2) atom. In the second Se site, Se(1) is bonded in a 7-coordinate geometry to three equivalent K(1), three equivalent K(2), and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.937
_cell_length_b   8.937
_cell_length_c   6.054
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   418.752
_cell_formula_units_Z   6
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  0.649  0.000  0.000  1.0
  K  K1  1  0.351  0.351  0.000  1.0
  K  K2  1  0.000  0.649  0.000  1.0
  K  K3  1  0.315  0.000  0.500  1.0
  K  K4  1  0.685  0.685  0.500  1.0
  K  K5  1  0.000  0.315  0.500  1.0
  Se  Se6  1  0.000  0.000  0.199  1.0
  Se  Se7  1  0.000  0.000  0.801  1.0
  Se  Se8  1  0.333  0.667  0.300  1.0
  Se  Se9  1  0.333  0.667  0.700  1.0
  Se  Se10  1  0.667  0.333  0.700  1.0
  Se  Se11  1  0.667  0.333  0.300  1.0
[/CIF]
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The material described by KSe is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent Se(1) and four equivalent Se(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent Se(1) and four equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded in a 7-coordinate geometry to three equivalent K(1), three equivalent K(2), and one Se(2) atom. In the second Se site, Se(1) is bonded in a 7-coordinate geometry to three equivalent K(1), three equivalent K(2), and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.937
_cell_length_b   8.937
_cell_length_c   6.054
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   418.752
_cell_formula_units_Z   6
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  0.649  0.000  0.000  1.0
  K  K1  1  0.351  0.351  0.000  1.0
  K  K2  1  0.000  0.649  0.000  1.0
  K  K3  1  0.315  0.000  0.500  1.0
  K  K4  1  0.685  0.685  0.500  1.0
  K  K5  1  0.000  0.315  0.500  1.0
  Se  Se6  1  0.000  0.000  0.199  1.0
  Se  Se7  1  0.000  0.000  0.801  1.0
  Se  Se8  1  0.333  0.667  0.300  1.0
  Se  Se9  1  0.333  0.667  0.700  1.0
  Se  Se10  1  0.667  0.333  0.700  1.0
  Se  Se11  1  0.667  0.333  0.300  1.0
[/CIF]
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