The material described by KLiSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. K(1) is bonded in a 5-coordinate geometry to five equivalent Se(1) atoms. Li(1) is bonded to four equivalent Se(1) atoms to form a mixture of corner and edge-sharing LiSe4 tetrahedra. Se(1) is bonded in a 9-coordinate geometry to five equivalent K(1) and four equivalent Li(1) atoms. is represented by the CIF file [CIF]
data_KLiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.501
_cell_length_b   4.501
_cell_length_c   7.207
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.040
_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  0.250  0.250  0.662  1.0
  K  K1  1  0.750  0.750  0.338  1.0
  Li  Li2  1  0.250  0.750  0.000  1.0
  Li  Li3  1  0.750  0.250  0.000  1.0
  Se  Se4  1  0.250  0.250  0.192  1.0
  Se  Se5  1  0.750  0.750  0.808  1.0
[/CIF]
.
The material described by KLiSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. K(1) is bonded in a 5-coordinate geometry to five equivalent Se(1) atoms. Li(1) is bonded to four equivalent Se(1) atoms to form a mixture of corner and edge-sharing LiSe4 tetrahedra. Se(1) is bonded in a 9-coordinate geometry to five equivalent K(1) and four equivalent Li(1) atoms. is represented by the CIF file [CIF]
data_KLiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.501
_cell_length_b   4.501
_cell_length_c   7.207
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.040
_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  0.250  0.250  0.662  1.0
  K  K1  1  0.750  0.750  0.338  1.0
  Li  Li2  1  0.250  0.750  0.000  1.0
  Li  Li3  1  0.750  0.250  0.000  1.0
  Se  Se4  1  0.250  0.250  0.192  1.0
  Se  Se5  1  0.750  0.750  0.808  1.0
[/CIF]
.