The material structure described by Cs2TlAl7 crystallizes in the tetragonal P4mm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 16-coordinate geometry to four equivalent Tl(1), four equivalent Al(1), four equivalent Al(2), and four equivalent Al(5) atoms. In the second Cs site, Cs(2) is bonded in a 16-coordinate geometry to four equivalent Al(1), four equivalent Al(2), four equivalent Al(3), and four equivalent Al(4) atoms. Tl(1) is bonded in a 9-coordinate geometry to four equivalent Cs(1), one Al(5), and four equivalent Al(1) atoms. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Tl(1), and two equivalent Al(4) atoms. In the second Al site, Al(2) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Al(3), and two equivalent Al(5) atoms. In the third Al site, Al(3) is bonded in a 9-coordinate geometry to four equivalent Cs(2), one Al(4), and four equivalent Al(2) atoms. In the fourth Al site, Al(4) is bonded in a 9-coordinate geometry to four equivalent Cs(2), one Al(3), and four equivalent Al(1) atoms. In the fifth Al site, Al(5) is bonded in a 9-coordinate geometry to four equivalent Cs(1), one Tl(1), and four equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_Cs2Al7Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.782
_cell_length_b   4.782
_cell_length_c   11.735
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   268.400
_cell_formula_units_Z   1
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  0.000  0.000  0.993  1.0
  Cs  Cs1  1  0.500  0.500  0.504  1.0
  Al  Al2  1  0.000  0.500  0.263  1.0
  Al  Al3  1  0.500  0.000  0.745  1.0
  Al  Al4  1  0.500  0.000  0.263  1.0
  Al  Al5  1  0.000  0.500  0.745  1.0
  Al  Al6  1  0.000  0.000  0.621  1.0
  Al  Al7  1  0.000  0.000  0.385  1.0
  Al  Al8  1  0.500  0.500  0.864  1.0
  Tl  Tl9  1  0.500  0.500  0.118  1.0
[/CIF]
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The material structure described by Cs2TlAl7 crystallizes in the tetragonal P4mm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 16-coordinate geometry to four equivalent Tl(1), four equivalent Al(1), four equivalent Al(2), and four equivalent Al(5) atoms. In the second Cs site, Cs(2) is bonded in a 16-coordinate geometry to four equivalent Al(1), four equivalent Al(2), four equivalent Al(3), and four equivalent Al(4) atoms. Tl(1) is bonded in a 9-coordinate geometry to four equivalent Cs(1), one Al(5), and four equivalent Al(1) atoms. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Tl(1), and two equivalent Al(4) atoms. In the second Al site, Al(2) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Al(3), and two equivalent Al(5) atoms. In the third Al site, Al(3) is bonded in a 9-coordinate geometry to four equivalent Cs(2), one Al(4), and four equivalent Al(2) atoms. In the fourth Al site, Al(4) is bonded in a 9-coordinate geometry to four equivalent Cs(2), one Al(3), and four equivalent Al(1) atoms. In the fifth Al site, Al(5) is bonded in a 9-coordinate geometry to four equivalent Cs(1), one Tl(1), and four equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_Cs2Al7Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.782
_cell_length_b   4.782
_cell_length_c   11.735
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   268.400
_cell_formula_units_Z   1
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  0.000  0.000  0.993  1.0
  Cs  Cs1  1  0.500  0.500  0.504  1.0
  Al  Al2  1  0.000  0.500  0.263  1.0
  Al  Al3  1  0.500  0.000  0.745  1.0
  Al  Al4  1  0.500  0.000  0.263  1.0
  Al  Al5  1  0.000  0.500  0.745  1.0
  Al  Al6  1  0.000  0.000  0.621  1.0
  Al  Al7  1  0.000  0.000  0.385  1.0
  Al  Al8  1  0.500  0.500  0.864  1.0
  Tl  Tl9  1  0.500  0.500  0.118  1.0
[/CIF]
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