The material structure described by Cs6K3AlSb4 crystallizes in the hexagonal P6_3/mmc space group. Cs(1) is bonded in a 3-coordinate geometry to one Sb(1) and four equivalent Sb(2) atoms. K(1) is bonded in a 4-coordinate geometry to two equivalent Sb(1) and two equivalent Sb(2) atoms. Al(1) is bonded in a trigonal planar geometry to three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to six equivalent Cs(1) and six equivalent K(1) atoms to form face-sharing SbCs6K6 cuboctahedra. In the second Sb site, Sb(2) is bonded in a 11-coordinate geometry to eight equivalent Cs(1), two equivalent K(1), and one Al(1) atom. is represented by the CIF card [CIF]
data_Cs6K3AlSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.176
_cell_length_b   11.176
_cell_length_c   11.718
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1267.448
_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
  Cs  Cs0  1  0.209  0.791  0.956  1.0
  Cs  Cs1  1  0.209  0.418  0.956  1.0
  Cs  Cs2  1  0.582  0.791  0.956  1.0
  Cs  Cs3  1  0.418  0.209  0.456  1.0
  Cs  Cs4  1  0.791  0.582  0.044  1.0
  Cs  Cs5  1  0.791  0.209  0.456  1.0
  Cs  Cs6  1  0.791  0.582  0.456  1.0
  Cs  Cs7  1  0.209  0.791  0.544  1.0
  Cs  Cs8  1  0.582  0.791  0.544  1.0
  Cs  Cs9  1  0.418  0.209  0.044  1.0
  Cs  Cs10  1  0.791  0.209  0.044  1.0
  Cs  Cs11  1  0.209  0.418  0.544  1.0
  K  K12  1  0.239  0.120  0.750  1.0
  K  K13  1  0.880  0.120  0.750  1.0
  K  K14  1  0.761  0.880  0.250  1.0
  K  K15  1  0.120  0.239  0.250  1.0
  K  K16  1  0.120  0.880  0.250  1.0
  K  K17  1  0.880  0.761  0.750  1.0
  Al  Al18  1  0.333  0.667  0.250  1.0
  Al  Al19  1  0.667  0.333  0.750  1.0
  Sb  Sb20  1  0.000  0.000  0.000  1.0
  Sb  Sb21  1  0.056  0.528  0.250  1.0
  Sb  Sb22  1  0.472  0.944  0.250  1.0
  Sb  Sb23  1  0.528  0.056  0.750  1.0
  Sb  Sb24  1  0.528  0.472  0.750  1.0
  Sb  Sb25  1  0.000  0.000  0.500  1.0
  Sb  Sb26  1  0.472  0.528  0.250  1.0
  Sb  Sb27  1  0.944  0.472  0.750  1.0
[/CIF]
.
The material structure described by Cs6K3AlSb4 crystallizes in the hexagonal P6_3/mmc space group. Cs(1) is bonded in a 3-coordinate geometry to one Sb(1) and four equivalent Sb(2) atoms. K(1) is bonded in a 4-coordinate geometry to two equivalent Sb(1) and two equivalent Sb(2) atoms. Al(1) is bonded in a trigonal planar geometry to three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to six equivalent Cs(1) and six equivalent K(1) atoms to form face-sharing SbCs6K6 cuboctahedra. In the second Sb site, Sb(2) is bonded in a 11-coordinate geometry to eight equivalent Cs(1), two equivalent K(1), and one Al(1) atom. is represented by the CIF card [CIF]
data_Cs6K3AlSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.176
_cell_length_b   11.176
_cell_length_c   11.718
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1267.448
_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
  Cs  Cs0  1  0.209  0.791  0.956  1.0
  Cs  Cs1  1  0.209  0.418  0.956  1.0
  Cs  Cs2  1  0.582  0.791  0.956  1.0
  Cs  Cs3  1  0.418  0.209  0.456  1.0
  Cs  Cs4  1  0.791  0.582  0.044  1.0
  Cs  Cs5  1  0.791  0.209  0.456  1.0
  Cs  Cs6  1  0.791  0.582  0.456  1.0
  Cs  Cs7  1  0.209  0.791  0.544  1.0
  Cs  Cs8  1  0.582  0.791  0.544  1.0
  Cs  Cs9  1  0.418  0.209  0.044  1.0
  Cs  Cs10  1  0.791  0.209  0.044  1.0
  Cs  Cs11  1  0.209  0.418  0.544  1.0
  K  K12  1  0.239  0.120  0.750  1.0
  K  K13  1  0.880  0.120  0.750  1.0
  K  K14  1  0.761  0.880  0.250  1.0
  K  K15  1  0.120  0.239  0.250  1.0
  K  K16  1  0.120  0.880  0.250  1.0
  K  K17  1  0.880  0.761  0.750  1.0
  Al  Al18  1  0.333  0.667  0.250  1.0
  Al  Al19  1  0.667  0.333  0.750  1.0
  Sb  Sb20  1  0.000  0.000  0.000  1.0
  Sb  Sb21  1  0.056  0.528  0.250  1.0
  Sb  Sb22  1  0.472  0.944  0.250  1.0
  Sb  Sb23  1  0.528  0.056  0.750  1.0
  Sb  Sb24  1  0.528  0.472  0.750  1.0
  Sb  Sb25  1  0.000  0.000  0.500  1.0
  Sb  Sb26  1  0.472  0.528  0.250  1.0
  Sb  Sb27  1  0.944  0.472  0.750  1.0
[/CIF]
.