The crystal structure described by Tl2LiYCl6 crystallizes in the triclinic P1 space group. The structure consists of eight 7440-28-0 atoms inside a LiYCl6 framework. In the LiYCl6 framework, there are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one Cl(1), one Cl(2), one Cl(22), one Cl(3), one Cl(5), and one Cl(6) atom to form LiCl6 octahedra that share corners with two equivalent Y(1)Cl6 octahedra, corners with two equivalent Y(3)Cl6 octahedra, and corners with two equivalent Y(4)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 13-26°. In the second Li site, Li(2) is bonded to one Cl(11), one Cl(12), one Cl(16), one Cl(7), one Cl(8), and one Cl(9) atom to form LiCl6 octahedra that share corners with two equivalent Y(2)Cl6 octahedra, corners with two equivalent Y(3)Cl6 octahedra, and corners with two equivalent Y(4)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 13-26°. In the third Li site, Li(3) is bonded to one Cl(10), one Cl(13), one Cl(14), one Cl(15), one Cl(17), and one Cl(18) atom to form LiCl6 octahedra that share corners with two equivalent Y(1)Cl6 octahedra, corners with two equivalent Y(2)Cl6 octahedra, and corners with two equivalent Y(3)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 1-23°. In the fourth Li site, Li(4) is bonded to one Cl(19), one Cl(20), one Cl(21), one Cl(23), one Cl(24), and one Cl(4) atom to form LiCl6 octahedra that share corners with two equivalent Y(1)Cl6 octahedra, corners with two equivalent Y(2)Cl6 octahedra, and corners with two equivalent Y(4)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 1-23°. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded to one Cl(14), one Cl(17), one Cl(19), one Cl(3), one Cl(4), and one Cl(6) atom to form YCl6 octahedra that share corners with two equivalent Li(1)Cl6 octahedra, corners with two equivalent Li(3)Cl6 octahedra, and corners with two equivalent Li(4)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 1-23°. In the second Y site, Y(2) is bonded to one Cl(10), one Cl(12), one Cl(13), one Cl(20), one Cl(23), and one Cl(9) atom to form YCl6 octahedra that share corners with two equivalent Li(2)Cl6 octahedra, corners with two equivalent Li(3)Cl6 octahedra, and corners with two equivalent Li(4)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 1-23°. In the third Y site, Y(3) is bonded to one Cl(15), one Cl(16), one Cl(18), one Cl(2), one Cl(5), and one Cl(7) atom to form YCl6 octahedra that share corners with two equivalent Li(1)Cl6 octahedra, corners with two equivalent Li(2)Cl6 octahedra, and corners with two equivalent Li(3)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 13-26°. In the fourth Y site, Y(4) is bonded to one Cl(1), one Cl(11), one Cl(21), one Cl(22), one Cl(24), and one Cl(8) atom to form YCl6 octahedra that share corners with two equivalent Li(1)Cl6 octahedra, corners with two equivalent Li(2)Cl6 octahedra, and corners with two equivalent Li(4)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 13-26°. There are twenty-four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a linear geometry to one Li(1) and one Y(4) atom. In the second Cl site, Cl(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Y(3) atom. In the third Cl site, Cl(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Y(1) atom. In the fourth Cl site, Cl(4) is bonded in a linear geometry to one Li(4) and one Y(1) atom. In the fifth Cl site, Cl(5) is bonded in a bent 150 degrees geometry to one Li(1) and one Y(3) atom. In the sixth Cl site, Cl(6) is bonded in a bent 150 degrees geometry to one Li(1) and one Y(1) atom. In the seventh Cl site, Cl(7) is bonded in a linear geometry to one Li(2) and one Y(3) atom. In the eighth Cl site, Cl(8) is bonded in a bent 150 degrees geometry to one Li(2) and one Y(4) atom. In the ninth Cl site, Cl(9) is bonded in a bent 150 degrees geometry to one Li(2) and one Y(2) atom. In the tenth Cl site, Cl(10) is bonded in a linear geometry to one Li(3) and one Y(2) atom. In the eleventh Cl site, Cl(11) is bonded in a bent 150 degrees geometry to one Li(2) and one Y(4) atom. In the twelfth Cl site, Cl(12) is bonded in a bent 150 degrees geometry to one Li(2) and one Y(2) atom. In the thirteenth Cl site, Cl(13) is bonded in a linear geometry to one Li(3) and one Y(2) atom. In the fourteenth Cl site, Cl(14) is bonded in a bent 150 degrees geometry to one Li(3) and one Y(1) atom. In the fifteenth Cl site, Cl(15) is bonded in a bent 150 degrees geometry to one Li(3) and one Y(3) atom. In the sixteenth Cl site, Cl(16) is bonded in a linear geometry to one Li(2) and one Y(3) atom. In the seventeenth Cl site, Cl(17) is bonded in a bent 150 degrees geometry to one Li(3) and one Y(1) atom. In the eighteenth Cl site, Cl(18) is bonded in a bent 150 degrees geometry to one Li(3) and one Y(3) atom. In the nineteenth Cl site, Cl(19) is bonded in a linear geometry to one Li(4) and one Y(1) atom. In the twentieth Cl site, Cl(20) is bonded in a bent 150 degrees geometry to one Li(4) and one Y(2) atom. In the twenty-first Cl site, Cl(21) is bonded in a bent 150 degrees geometry to one Li(4) and one Y(4) atom. In the twenty-second Cl site, Cl(22) is bonded in a linear geometry to one Li(1) and one Y(4) atom. In the twenty-third Cl site, Cl(23) is bonded in a bent 150 degrees geometry to one Li(4) and one Y(2) atom. In the twenty-fourth Cl site, Cl(24) is bonded in a bent 150 degrees geometry to one Li(4) and one Y(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiY(TlCl3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.365
_cell_length_b   7.367
_cell_length_c   10.268
_cell_angle_alpha   89.952
_cell_angle_beta   89.950
_cell_angle_gamma   88.052
_symmetry_Int_Tables_number   1
_cell_volume   556.824
_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
  Cl  Cl0  1  0.280  0.222  0.501  1.0
  Cl  Cl1  1  0.777  0.273  0.550  1.0
  Cl  Cl2  1  0.949  0.051  0.253  1.0
  Cl  Cl3  1  0.247  0.252  0.000  1.0
  Cl  Cl4  1  0.223  0.728  0.450  1.0
  Cl  Cl5  1  0.051  0.949  0.747  1.0
  Cl  Cl6  1  0.753  0.748  1.000  1.0
  Cl  Cl7  1  0.253  0.747  0.051  1.0
  Cl  Cl8  1  0.449  0.551  0.752  1.0
  Cl  Cl9  1  0.720  0.778  0.499  1.0
  Cl  Cl10  1  0.747  0.253  0.949  1.0
  Cl  Cl11  1  0.552  0.449  0.247  1.0
  Li  Li12  1  0.000  0.000  0.500  1.0
  Li  Li13  1  0.500  0.500  1.000  1.0
  Tl  Tl14  1  0.995  0.495  0.240  1.0
  Tl  Tl15  1  0.495  0.998  0.255  1.0
  Tl  Tl16  1  0.504  0.003  0.745  1.0
  Tl  Tl17  1  0.005  0.506  0.760  1.0
  Y  Y18  1  1.000  0.000  1.000  1.0
  Y  Y19  1  0.500  0.500  0.500  1.0
[/CIF]
.
The crystal structure described by Tl2LiYCl6 crystallizes in the triclinic P1 space group. The structure consists of eight 7440-28-0 atoms inside a LiYCl6 framework. In the LiYCl6 framework, there are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one Cl(1), one Cl(2), one Cl(22), one Cl(3), one Cl(5), and one Cl(6) atom to form LiCl6 octahedra that share corners with two equivalent Y(1)Cl6 octahedra, corners with two equivalent Y(3)Cl6 octahedra, and corners with two equivalent Y(4)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 13-26°. In the second Li site, Li(2) is bonded to one Cl(11), one Cl(12), one Cl(16), one Cl(7), one Cl(8), and one Cl(9) atom to form LiCl6 octahedra that share corners with two equivalent Y(2)Cl6 octahedra, corners with two equivalent Y(3)Cl6 octahedra, and corners with two equivalent Y(4)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 13-26°. In the third Li site, Li(3) is bonded to one Cl(10), one Cl(13), one Cl(14), one Cl(15), one Cl(17), and one Cl(18) atom to form LiCl6 octahedra that share corners with two equivalent Y(1)Cl6 octahedra, corners with two equivalent Y(2)Cl6 octahedra, and corners with two equivalent Y(3)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 1-23°. In the fourth Li site, Li(4) is bonded to one Cl(19), one Cl(20), one Cl(21), one Cl(23), one Cl(24), and one Cl(4) atom to form LiCl6 octahedra that share corners with two equivalent Y(1)Cl6 octahedra, corners with two equivalent Y(2)Cl6 octahedra, and corners with two equivalent Y(4)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 1-23°. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded to one Cl(14), one Cl(17), one Cl(19), one Cl(3), one Cl(4), and one Cl(6) atom to form YCl6 octahedra that share corners with two equivalent Li(1)Cl6 octahedra, corners with two equivalent Li(3)Cl6 octahedra, and corners with two equivalent Li(4)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 1-23°. In the second Y site, Y(2) is bonded to one Cl(10), one Cl(12), one Cl(13), one Cl(20), one Cl(23), and one Cl(9) atom to form YCl6 octahedra that share corners with two equivalent Li(2)Cl6 octahedra, corners with two equivalent Li(3)Cl6 octahedra, and corners with two equivalent Li(4)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 1-23°. In the third Y site, Y(3) is bonded to one Cl(15), one Cl(16), one Cl(18), one Cl(2), one Cl(5), and one Cl(7) atom to form YCl6 octahedra that share corners with two equivalent Li(1)Cl6 octahedra, corners with two equivalent Li(2)Cl6 octahedra, and corners with two equivalent Li(3)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 13-26°. In the fourth Y site, Y(4) is bonded to one Cl(1), one Cl(11), one Cl(21), one Cl(22), one Cl(24), and one Cl(8) atom to form YCl6 octahedra that share corners with two equivalent Li(1)Cl6 octahedra, corners with two equivalent Li(2)Cl6 octahedra, and corners with two equivalent Li(4)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 13-26°. There are twenty-four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a linear geometry to one Li(1) and one Y(4) atom. In the second Cl site, Cl(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Y(3) atom. In the third Cl site, Cl(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Y(1) atom. In the fourth Cl site, Cl(4) is bonded in a linear geometry to one Li(4) and one Y(1) atom. In the fifth Cl site, Cl(5) is bonded in a bent 150 degrees geometry to one Li(1) and one Y(3) atom. In the sixth Cl site, Cl(6) is bonded in a bent 150 degrees geometry to one Li(1) and one Y(1) atom. In the seventh Cl site, Cl(7) is bonded in a linear geometry to one Li(2) and one Y(3) atom. In the eighth Cl site, Cl(8) is bonded in a bent 150 degrees geometry to one Li(2) and one Y(4) atom. In the ninth Cl site, Cl(9) is bonded in a bent 150 degrees geometry to one Li(2) and one Y(2) atom. In the tenth Cl site, Cl(10) is bonded in a linear geometry to one Li(3) and one Y(2) atom. In the eleventh Cl site, Cl(11) is bonded in a bent 150 degrees geometry to one Li(2) and one Y(4) atom. In the twelfth Cl site, Cl(12) is bonded in a bent 150 degrees geometry to one Li(2) and one Y(2) atom. In the thirteenth Cl site, Cl(13) is bonded in a linear geometry to one Li(3) and one Y(2) atom. In the fourteenth Cl site, Cl(14) is bonded in a bent 150 degrees geometry to one Li(3) and one Y(1) atom. In the fifteenth Cl site, Cl(15) is bonded in a bent 150 degrees geometry to one Li(3) and one Y(3) atom. In the sixteenth Cl site, Cl(16) is bonded in a linear geometry to one Li(2) and one Y(3) atom. In the seventeenth Cl site, Cl(17) is bonded in a bent 150 degrees geometry to one Li(3) and one Y(1) atom. In the eighteenth Cl site, Cl(18) is bonded in a bent 150 degrees geometry to one Li(3) and one Y(3) atom. In the nineteenth Cl site, Cl(19) is bonded in a linear geometry to one Li(4) and one Y(1) atom. In the twentieth Cl site, Cl(20) is bonded in a bent 150 degrees geometry to one Li(4) and one Y(2) atom. In the twenty-first Cl site, Cl(21) is bonded in a bent 150 degrees geometry to one Li(4) and one Y(4) atom. In the twenty-second Cl site, Cl(22) is bonded in a linear geometry to one Li(1) and one Y(4) atom. In the twenty-third Cl site, Cl(23) is bonded in a bent 150 degrees geometry to one Li(4) and one Y(2) atom. In the twenty-fourth Cl site, Cl(24) is bonded in a bent 150 degrees geometry to one Li(4) and one Y(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiY(TlCl3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.365
_cell_length_b   7.367
_cell_length_c   10.268
_cell_angle_alpha   89.952
_cell_angle_beta   89.950
_cell_angle_gamma   88.052
_symmetry_Int_Tables_number   1
_cell_volume   556.824
_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
  Cl  Cl0  1  0.280  0.222  0.501  1.0
  Cl  Cl1  1  0.777  0.273  0.550  1.0
  Cl  Cl2  1  0.949  0.051  0.253  1.0
  Cl  Cl3  1  0.247  0.252  0.000  1.0
  Cl  Cl4  1  0.223  0.728  0.450  1.0
  Cl  Cl5  1  0.051  0.949  0.747  1.0
  Cl  Cl6  1  0.753  0.748  1.000  1.0
  Cl  Cl7  1  0.253  0.747  0.051  1.0
  Cl  Cl8  1  0.449  0.551  0.752  1.0
  Cl  Cl9  1  0.720  0.778  0.499  1.0
  Cl  Cl10  1  0.747  0.253  0.949  1.0
  Cl  Cl11  1  0.552  0.449  0.247  1.0
  Li  Li12  1  0.000  0.000  0.500  1.0
  Li  Li13  1  0.500  0.500  1.000  1.0
  Tl  Tl14  1  0.995  0.495  0.240  1.0
  Tl  Tl15  1  0.495  0.998  0.255  1.0
  Tl  Tl16  1  0.504  0.003  0.745  1.0
  Tl  Tl17  1  0.005  0.506  0.760  1.0
  Y  Y18  1  1.000  0.000  1.000  1.0
  Y  Y19  1  0.500  0.500  0.500  1.0
[/CIF]
.