The material described by K2TaAgS4 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one S(1), one S(4), one S(7), one S(8), two equivalent S(2), and two equivalent S(3) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one S(2), one S(3), one S(5), one S(6), one S(8), and two equivalent S(7) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(5), one S(6), and two equivalent S(4) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one S(1), one S(4), one S(5), one S(7), one S(8), and two equivalent S(6) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the second Ta site, Ta(2) is bonded to one S(5), one S(6), one S(7), and one S(8) atom to form TaS4 tetrahedra that share edges with two equivalent Ag(2)S4 tetrahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the second Ag site, Ag(2) is bonded to one S(5), one S(6), one S(7), and one S(8) atom to form distorted AgS4 tetrahedra that share edges with two equivalent Ta(2)S4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one K(1), one K(3), one K(4), one Ta(1), and one Ag(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(1), one Ta(1), and one Ag(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(1), one Ta(1), and one Ag(1) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one K(1), one K(4), two equivalent K(3), one Ta(1), and one Ag(1) atom. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one K(2), one K(3), one K(4), one Ta(2), and one Ag(2) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(4), one Ta(2), and one Ag(2) atom. In the seventh S site, S(7) is bonded in a 6-coordinate geometry to one K(1), one K(4), two equivalent K(2), one Ta(2), and one Ag(2) atom. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(4), one Ta(2), and one Ag(2) atom. is represented by the CIF file [CIF]
data_K2TaAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.387
_cell_length_b   11.933
_cell_length_c   7.399
_cell_angle_alpha   84.171
_cell_angle_beta   62.473
_cell_angle_gamma   33.355
_symmetry_Int_Tables_number   1
_cell_volume   468.039
_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
  K  K0  1  0.814  0.799  0.440  1.0
  K  K1  1  0.202  0.189  0.546  1.0
  K  K2  1  0.441  0.452  0.806  1.0
  K  K3  1  0.563  0.546  0.190  1.0
  Ta  Ta4  1  0.368  0.383  0.383  1.0
  Ta  Ta5  1  0.616  0.634  0.632  1.0
  Ag  Ag6  1  0.882  0.867  0.874  1.0
  Ag  Ag7  1  0.121  0.128  0.134  1.0
  S  S8  1  0.124  0.741  0.420  1.0
  S  S9  1  0.200  0.433  0.756  1.0
  S  S10  1  0.431  0.200  0.115  1.0
  S  S11  1  0.750  0.120  0.205  1.0
  S  S12  1  0.889  0.245  0.564  1.0
  S  S13  1  0.251  0.885  0.801  1.0
  S  S14  1  0.564  0.802  0.885  1.0
  S  S15  1  0.786  0.579  0.255  1.0
[/CIF]
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The material described by K2TaAgS4 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one S(1), one S(4), one S(7), one S(8), two equivalent S(2), and two equivalent S(3) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one S(2), one S(3), one S(5), one S(6), one S(8), and two equivalent S(7) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(5), one S(6), and two equivalent S(4) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one S(1), one S(4), one S(5), one S(7), one S(8), and two equivalent S(6) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the second Ta site, Ta(2) is bonded to one S(5), one S(6), one S(7), and one S(8) atom to form TaS4 tetrahedra that share edges with two equivalent Ag(2)S4 tetrahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the second Ag site, Ag(2) is bonded to one S(5), one S(6), one S(7), and one S(8) atom to form distorted AgS4 tetrahedra that share edges with two equivalent Ta(2)S4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one K(1), one K(3), one K(4), one Ta(1), and one Ag(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(1), one Ta(1), and one Ag(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(1), one Ta(1), and one Ag(1) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one K(1), one K(4), two equivalent K(3), one Ta(1), and one Ag(1) atom. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one K(2), one K(3), one K(4), one Ta(2), and one Ag(2) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(4), one Ta(2), and one Ag(2) atom. In the seventh S site, S(7) is bonded in a 6-coordinate geometry to one K(1), one K(4), two equivalent K(2), one Ta(2), and one Ag(2) atom. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(4), one Ta(2), and one Ag(2) atom. is represented by the CIF file [CIF]
data_K2TaAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.387
_cell_length_b   11.933
_cell_length_c   7.399
_cell_angle_alpha   84.171
_cell_angle_beta   62.473
_cell_angle_gamma   33.355
_symmetry_Int_Tables_number   1
_cell_volume   468.039
_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
  K  K0  1  0.814  0.799  0.440  1.0
  K  K1  1  0.202  0.189  0.546  1.0
  K  K2  1  0.441  0.452  0.806  1.0
  K  K3  1  0.563  0.546  0.190  1.0
  Ta  Ta4  1  0.368  0.383  0.383  1.0
  Ta  Ta5  1  0.616  0.634  0.632  1.0
  Ag  Ag6  1  0.882  0.867  0.874  1.0
  Ag  Ag7  1  0.121  0.128  0.134  1.0
  S  S8  1  0.124  0.741  0.420  1.0
  S  S9  1  0.200  0.433  0.756  1.0
  S  S10  1  0.431  0.200  0.115  1.0
  S  S11  1  0.750  0.120  0.205  1.0
  S  S12  1  0.889  0.245  0.564  1.0
  S  S13  1  0.251  0.885  0.801  1.0
  S  S14  1  0.564  0.802  0.885  1.0
  S  S15  1  0.786  0.579  0.255  1.0
[/CIF]
.