The compound described by Rb2LiTaS4 crystallizes in the triclinic P-1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one S(1), one S(3), one S(4), one S(5), two equivalent S(6), and two equivalent S(8) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(4), one S(6), one S(7), one S(8), and two equivalent S(3) atoms. In the third Rb site, Rb(3) is bonded to one S(1), one S(2), one S(6), one S(7), and three equivalent S(5) atoms to form distorted RbS7 pentagonal bipyramids that share corners with two equivalent Rb(3)S7 pentagonal bipyramids,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Ta(2)S4 tetrahedra, corners with three equivalent Li(1)S4 trigonal pyramids, edges with two equivalent Rb(3)S7 pentagonal bipyramids, and edges with three equivalent Ta(1)S4 tetrahedra. In the fourth Rb site, Rb(4) is bonded in a 7-coordinate geometry to one S(3), one S(4), one S(5), one S(8), and three equivalent S(7) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form LiS4 trigonal pyramids that share corners with three equivalent Rb(3)S7 pentagonal bipyramids,  a cornercorner with one Ta(1)S4 tetrahedra,  a cornercorner with one Ta(2)S4 tetrahedra,  an edgeedge with one Ta(1)S4 tetrahedra, and  an edgeedge with one Li(1)S4 trigonal pyramid. In the second Li site, Li(2) is bonded to one S(6), one S(8), and two equivalent S(4) atoms to form LiS4 tetrahedra that share  a cornercorner with one Rb(3)S7 pentagonal bipyramid,  a cornercorner with one Ta(1)S4 tetrahedra,  a cornercorner with one Ta(2)S4 tetrahedra,  an edgeedge with one Li(2)S4 tetrahedra, and  an edgeedge with one Ta(2)S4 tetrahedra. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one S(1), one S(2), one S(5), and one S(6) atom to form TaS4 tetrahedra that share  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(1)S4 trigonal pyramid, edges with three equivalent Rb(3)S7 pentagonal bipyramids, and  an edgeedge with one Li(1)S4 trigonal pyramid. In the second Ta site, Ta(2) is bonded to one S(3), one S(4), one S(7), and one S(8) atom to form TaS4 tetrahedra that share  a cornercorner with one Rb(3)S7 pentagonal bipyramid,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(1)S4 trigonal pyramid, and  an edgeedge with one Li(2)S4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), one Li(1), and one Ta(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Rb(2), one Rb(3), two equivalent Li(1), and one Ta(1) atom. In the third S site, S(3) is bonded to one Rb(1), one Rb(4), two equivalent Rb(2), one Li(1), and one Ta(2) atom to form distorted SRb4LiTa octahedra that share corners with two equivalent S(3)Rb4LiTa octahedra, corners with two equivalent S(5)Rb5Ta octahedra, and edges with three equivalent S(7)Rb5Ta octahedra. The corner-sharing octahedral tilt angles range from 5-69°. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(2), one Rb(4), two equivalent Li(2), and one Ta(2) atom. In the fifth S site, S(5) is bonded to one Rb(1), one Rb(4), three equivalent Rb(3), and one Ta(1) atom to form distorted SRb5Ta octahedra that share corners with two equivalent S(3)Rb4LiTa octahedra, corners with two equivalent S(5)Rb5Ta octahedra, corners with two equivalent S(7)Rb5Ta octahedra, edges with two equivalent S(5)Rb5Ta octahedra, and edges with two equivalent S(7)Rb5Ta octahedra. The corner-sharing octahedral tilt angles range from 3-69°. In the sixth S site, S(6) is bonded in a 2-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), one Li(2), and one Ta(1) atom. In the seventh S site, S(7) is bonded to one Rb(2), one Rb(3), three equivalent Rb(4), and one Ta(2) atom to form distorted SRb5Ta octahedra that share corners with two equivalent S(5)Rb5Ta octahedra, corners with two equivalent S(7)Rb5Ta octahedra, edges with two equivalent S(5)Rb5Ta octahedra, edges with two equivalent S(7)Rb5Ta octahedra, and edges with three equivalent S(3)Rb4LiTa octahedra. The corner-sharing octahedral tilt angles range from 3-23°. In the eighth S site, S(8) is bonded in a 2-coordinate geometry to one Rb(2), one Rb(4), two equivalent Rb(1), one Li(2), and one Ta(2) atom. is represented by the CIF card [CIF]
data_Rb2LiTaS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.204
_cell_length_b   11.566
_cell_length_c   12.061
_cell_angle_alpha   71.527
_cell_angle_beta   87.610
_cell_angle_gamma   83.522
_symmetry_Int_Tables_number   1
_cell_volume   947.158
_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
  Rb  Rb0  1  0.683  0.097  0.249  1.0
  Rb  Rb1  1  0.735  0.624  0.723  1.0
  Rb  Rb2  1  0.249  0.845  0.143  1.0
  Rb  Rb3  1  0.751  0.651  0.349  1.0
  Rb  Rb4  1  0.317  0.903  0.751  1.0
  Rb  Rb5  1  0.249  0.349  0.651  1.0
  Rb  Rb6  1  0.265  0.376  0.277  1.0
  Rb  Rb7  1  0.751  0.155  0.857  1.0
  Li  Li8  1  0.781  0.478  0.072  1.0
  Li  Li9  1  0.824  0.989  0.585  1.0
  Li  Li10  1  0.176  0.011  0.415  1.0
  Li  Li11  1  0.219  0.522  0.928  1.0
  Ta  Ta12  1  0.216  0.231  0.015  1.0
  Ta  Ta13  1  0.777  0.273  0.485  1.0
  Ta  Ta14  1  0.223  0.727  0.515  1.0
  Ta  Ta15  1  0.784  0.769  0.985  1.0
  S  S16  1  0.535  0.660  0.994  1.0
  S  S17  1  0.967  0.373  0.941  1.0
  S  S18  1  0.237  0.621  0.710  1.0
  S  S19  1  0.053  0.147  0.532  1.0
  S  S20  1  0.267  0.106  0.901  1.0
  S  S21  1  0.170  0.118  0.205  1.0
  S  S22  1  0.465  0.340  0.006  1.0
  S  S23  1  0.830  0.882  0.795  1.0
  S  S24  1  0.252  0.600  0.403  1.0
  S  S25  1  0.033  0.627  0.059  1.0
  S  S26  1  0.763  0.379  0.290  1.0
  S  S27  1  0.733  0.894  0.099  1.0
  S  S28  1  0.547  0.144  0.531  1.0
  S  S29  1  0.453  0.856  0.469  1.0
  S  S30  1  0.748  0.400  0.597  1.0
  S  S31  1  0.947  0.853  0.468  1.0
[/CIF]
.
The compound described by Rb2LiTaS4 crystallizes in the triclinic P-1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one S(1), one S(3), one S(4), one S(5), two equivalent S(6), and two equivalent S(8) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(4), one S(6), one S(7), one S(8), and two equivalent S(3) atoms. In the third Rb site, Rb(3) is bonded to one S(1), one S(2), one S(6), one S(7), and three equivalent S(5) atoms to form distorted RbS7 pentagonal bipyramids that share corners with two equivalent Rb(3)S7 pentagonal bipyramids,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Ta(2)S4 tetrahedra, corners with three equivalent Li(1)S4 trigonal pyramids, edges with two equivalent Rb(3)S7 pentagonal bipyramids, and edges with three equivalent Ta(1)S4 tetrahedra. In the fourth Rb site, Rb(4) is bonded in a 7-coordinate geometry to one S(3), one S(4), one S(5), one S(8), and three equivalent S(7) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form LiS4 trigonal pyramids that share corners with three equivalent Rb(3)S7 pentagonal bipyramids,  a cornercorner with one Ta(1)S4 tetrahedra,  a cornercorner with one Ta(2)S4 tetrahedra,  an edgeedge with one Ta(1)S4 tetrahedra, and  an edgeedge with one Li(1)S4 trigonal pyramid. In the second Li site, Li(2) is bonded to one S(6), one S(8), and two equivalent S(4) atoms to form LiS4 tetrahedra that share  a cornercorner with one Rb(3)S7 pentagonal bipyramid,  a cornercorner with one Ta(1)S4 tetrahedra,  a cornercorner with one Ta(2)S4 tetrahedra,  an edgeedge with one Li(2)S4 tetrahedra, and  an edgeedge with one Ta(2)S4 tetrahedra. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one S(1), one S(2), one S(5), and one S(6) atom to form TaS4 tetrahedra that share  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(1)S4 trigonal pyramid, edges with three equivalent Rb(3)S7 pentagonal bipyramids, and  an edgeedge with one Li(1)S4 trigonal pyramid. In the second Ta site, Ta(2) is bonded to one S(3), one S(4), one S(7), and one S(8) atom to form TaS4 tetrahedra that share  a cornercorner with one Rb(3)S7 pentagonal bipyramid,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(1)S4 trigonal pyramid, and  an edgeedge with one Li(2)S4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), one Li(1), and one Ta(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Rb(2), one Rb(3), two equivalent Li(1), and one Ta(1) atom. In the third S site, S(3) is bonded to one Rb(1), one Rb(4), two equivalent Rb(2), one Li(1), and one Ta(2) atom to form distorted SRb4LiTa octahedra that share corners with two equivalent S(3)Rb4LiTa octahedra, corners with two equivalent S(5)Rb5Ta octahedra, and edges with three equivalent S(7)Rb5Ta octahedra. The corner-sharing octahedral tilt angles range from 5-69°. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(2), one Rb(4), two equivalent Li(2), and one Ta(2) atom. In the fifth S site, S(5) is bonded to one Rb(1), one Rb(4), three equivalent Rb(3), and one Ta(1) atom to form distorted SRb5Ta octahedra that share corners with two equivalent S(3)Rb4LiTa octahedra, corners with two equivalent S(5)Rb5Ta octahedra, corners with two equivalent S(7)Rb5Ta octahedra, edges with two equivalent S(5)Rb5Ta octahedra, and edges with two equivalent S(7)Rb5Ta octahedra. The corner-sharing octahedral tilt angles range from 3-69°. In the sixth S site, S(6) is bonded in a 2-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), one Li(2), and one Ta(1) atom. In the seventh S site, S(7) is bonded to one Rb(2), one Rb(3), three equivalent Rb(4), and one Ta(2) atom to form distorted SRb5Ta octahedra that share corners with two equivalent S(5)Rb5Ta octahedra, corners with two equivalent S(7)Rb5Ta octahedra, edges with two equivalent S(5)Rb5Ta octahedra, edges with two equivalent S(7)Rb5Ta octahedra, and edges with three equivalent S(3)Rb4LiTa octahedra. The corner-sharing octahedral tilt angles range from 3-23°. In the eighth S site, S(8) is bonded in a 2-coordinate geometry to one Rb(2), one Rb(4), two equivalent Rb(1), one Li(2), and one Ta(2) atom. is represented by the CIF card [CIF]
data_Rb2LiTaS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.204
_cell_length_b   11.566
_cell_length_c   12.061
_cell_angle_alpha   71.527
_cell_angle_beta   87.610
_cell_angle_gamma   83.522
_symmetry_Int_Tables_number   1
_cell_volume   947.158
_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
  Rb  Rb0  1  0.683  0.097  0.249  1.0
  Rb  Rb1  1  0.735  0.624  0.723  1.0
  Rb  Rb2  1  0.249  0.845  0.143  1.0
  Rb  Rb3  1  0.751  0.651  0.349  1.0
  Rb  Rb4  1  0.317  0.903  0.751  1.0
  Rb  Rb5  1  0.249  0.349  0.651  1.0
  Rb  Rb6  1  0.265  0.376  0.277  1.0
  Rb  Rb7  1  0.751  0.155  0.857  1.0
  Li  Li8  1  0.781  0.478  0.072  1.0
  Li  Li9  1  0.824  0.989  0.585  1.0
  Li  Li10  1  0.176  0.011  0.415  1.0
  Li  Li11  1  0.219  0.522  0.928  1.0
  Ta  Ta12  1  0.216  0.231  0.015  1.0
  Ta  Ta13  1  0.777  0.273  0.485  1.0
  Ta  Ta14  1  0.223  0.727  0.515  1.0
  Ta  Ta15  1  0.784  0.769  0.985  1.0
  S  S16  1  0.535  0.660  0.994  1.0
  S  S17  1  0.967  0.373  0.941  1.0
  S  S18  1  0.237  0.621  0.710  1.0
  S  S19  1  0.053  0.147  0.532  1.0
  S  S20  1  0.267  0.106  0.901  1.0
  S  S21  1  0.170  0.118  0.205  1.0
  S  S22  1  0.465  0.340  0.006  1.0
  S  S23  1  0.830  0.882  0.795  1.0
  S  S24  1  0.252  0.600  0.403  1.0
  S  S25  1  0.033  0.627  0.059  1.0
  S  S26  1  0.763  0.379  0.290  1.0
  S  S27  1  0.733  0.894  0.099  1.0
  S  S28  1  0.547  0.144  0.531  1.0
  S  S29  1  0.453  0.856  0.469  1.0
  S  S30  1  0.748  0.400  0.597  1.0
  S  S31  1  0.947  0.853  0.468  1.0
[/CIF]
.