The structure described by K3AsSe3 crystallizes in the cubic P2_13 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. In the third K site, K(3) is bonded to six equivalent Se(1) atoms to form distorted corner-sharing KSe6 octahedra. The corner-sharing octahedral tilt angles are 63°. As(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Se(1) atoms. Se(1) is bonded to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one As(1) atom to form a mixture of distorted face, corner, and edge-sharing SeK6As pentagonal bipyramids. is represented by the CIF file [CIF]
data_K3AsSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.764
_cell_length_b   9.764
_cell_length_c   9.764
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   930.757
_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  0.817  0.183  0.683  1.0
  K  K1  1  0.683  0.817  0.183  1.0
  K  K2  1  0.183  0.683  0.817  1.0
  K  K3  1  0.317  0.317  0.317  1.0
  K  K4  1  0.187  0.313  0.687  1.0
  K  K5  1  0.313  0.687  0.187  1.0
  K  K6  1  0.687  0.187  0.313  1.0
  K  K7  1  0.813  0.813  0.813  1.0
  K  K8  1  0.421  0.079  0.921  1.0
  K  K9  1  0.079  0.921  0.421  1.0
  K  K10  1  0.921  0.421  0.079  1.0
  K  K11  1  0.579  0.579  0.579  1.0
  As  As12  1  0.023  0.023  0.023  1.0
  As  As13  1  0.477  0.977  0.523  1.0
  As  As14  1  0.977  0.523  0.477  1.0
  As  As15  1  0.523  0.477  0.977  1.0
  Se  Se16  1  0.288  0.401  0.995  1.0
  Se  Se17  1  0.788  0.099  0.005  1.0
  Se  Se18  1  0.712  0.901  0.505  1.0
  Se  Se19  1  0.099  0.005  0.788  1.0
  Se  Se20  1  0.505  0.712  0.901  1.0
  Se  Se21  1  0.005  0.788  0.099  1.0
  Se  Se22  1  0.401  0.995  0.288  1.0
  Se  Se23  1  0.995  0.288  0.401  1.0
  Se  Se24  1  0.901  0.505  0.712  1.0
  Se  Se25  1  0.599  0.495  0.212  1.0
  Se  Se26  1  0.495  0.212  0.599  1.0
  Se  Se27  1  0.212  0.599  0.495  1.0
[/CIF]
.
The structure described by K3AsSe3 crystallizes in the cubic P2_13 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. In the third K site, K(3) is bonded to six equivalent Se(1) atoms to form distorted corner-sharing KSe6 octahedra. The corner-sharing octahedral tilt angles are 63°. As(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Se(1) atoms. Se(1) is bonded to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one As(1) atom to form a mixture of distorted face, corner, and edge-sharing SeK6As pentagonal bipyramids. is represented by the CIF file [CIF]
data_K3AsSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.764
_cell_length_b   9.764
_cell_length_c   9.764
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   930.757
_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  0.817  0.183  0.683  1.0
  K  K1  1  0.683  0.817  0.183  1.0
  K  K2  1  0.183  0.683  0.817  1.0
  K  K3  1  0.317  0.317  0.317  1.0
  K  K4  1  0.187  0.313  0.687  1.0
  K  K5  1  0.313  0.687  0.187  1.0
  K  K6  1  0.687  0.187  0.313  1.0
  K  K7  1  0.813  0.813  0.813  1.0
  K  K8  1  0.421  0.079  0.921  1.0
  K  K9  1  0.079  0.921  0.421  1.0
  K  K10  1  0.921  0.421  0.079  1.0
  K  K11  1  0.579  0.579  0.579  1.0
  As  As12  1  0.023  0.023  0.023  1.0
  As  As13  1  0.477  0.977  0.523  1.0
  As  As14  1  0.977  0.523  0.477  1.0
  As  As15  1  0.523  0.477  0.977  1.0
  Se  Se16  1  0.288  0.401  0.995  1.0
  Se  Se17  1  0.788  0.099  0.005  1.0
  Se  Se18  1  0.712  0.901  0.505  1.0
  Se  Se19  1  0.099  0.005  0.788  1.0
  Se  Se20  1  0.505  0.712  0.901  1.0
  Se  Se21  1  0.005  0.788  0.099  1.0
  Se  Se22  1  0.401  0.995  0.288  1.0
  Se  Se23  1  0.995  0.288  0.401  1.0
  Se  Se24  1  0.901  0.505  0.712  1.0
  Se  Se25  1  0.599  0.495  0.212  1.0
  Se  Se26  1  0.495  0.212  0.599  1.0
  Se  Se27  1  0.212  0.599  0.495  1.0
[/CIF]
.