The crystal structure described by KSe crystallizes in the orthorhombic Pbca 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 K(2), three equivalent Se(1), and three equivalent Se(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent K(1), three equivalent Se(1), and three equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent K(1), three equivalent K(2), and one Se(1) atom to form a mixture of distorted face and edge-sharing SeK6Se pentagonal bipyramids. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to three equivalent K(1) and three equivalent K(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.075
_cell_length_b   9.449
_cell_length_c   9.529
_cell_angle_alpha   90.000
_cell_angle_beta   108.587
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   518.425
_cell_formula_units_Z   8
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  0.313  0.686  0.254  1.0
  K  K1  1  0.187  0.186  0.746  1.0
  K  K2  1  0.941  0.314  0.254  1.0
  K  K3  1  0.559  0.814  0.746  1.0
  K  K4  1  0.687  0.314  0.746  1.0
  K  K5  1  0.813  0.814  0.254  1.0
  K  K6  1  0.059  0.686  0.746  1.0
  K  K7  1  0.441  0.186  0.254  1.0
  Se  Se8  1  0.324  0.938  1.000  1.0
  Se  Se9  1  0.176  0.438  0.000  1.0
  Se  Se10  1  0.676  0.062  0.000  1.0
  Se  Se11  1  0.824  0.562  1.000  1.0
  Se  Se12  1  0.735  0.500  0.469  1.0
  Se  Se13  1  0.765  1.000  0.531  1.0
  Se  Se14  1  0.265  0.500  0.531  1.0
  Se  Se15  1  0.235  0.000  0.469  1.0
[/CIF]
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The crystal structure described by KSe crystallizes in the orthorhombic Pbca 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 K(2), three equivalent Se(1), and three equivalent Se(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent K(1), three equivalent Se(1), and three equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent K(1), three equivalent K(2), and one Se(1) atom to form a mixture of distorted face and edge-sharing SeK6Se pentagonal bipyramids. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to three equivalent K(1) and three equivalent K(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.075
_cell_length_b   9.449
_cell_length_c   9.529
_cell_angle_alpha   90.000
_cell_angle_beta   108.587
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   518.425
_cell_formula_units_Z   8
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  0.313  0.686  0.254  1.0
  K  K1  1  0.187  0.186  0.746  1.0
  K  K2  1  0.941  0.314  0.254  1.0
  K  K3  1  0.559  0.814  0.746  1.0
  K  K4  1  0.687  0.314  0.746  1.0
  K  K5  1  0.813  0.814  0.254  1.0
  K  K6  1  0.059  0.686  0.746  1.0
  K  K7  1  0.441  0.186  0.254  1.0
  Se  Se8  1  0.324  0.938  1.000  1.0
  Se  Se9  1  0.176  0.438  0.000  1.0
  Se  Se10  1  0.676  0.062  0.000  1.0
  Se  Se11  1  0.824  0.562  1.000  1.0
  Se  Se12  1  0.735  0.500  0.469  1.0
  Se  Se13  1  0.765  1.000  0.531  1.0
  Se  Se14  1  0.265  0.500  0.531  1.0
  Se  Se15  1  0.235  0.000  0.469  1.0
[/CIF]
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