The material structure described by KAuGeS3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(4), two equivalent S(2), and two equivalent S(5) atoms. In the second K site, K(2) is bonded in a 11-coordinate geometry to two equivalent Au(1), three equivalent Au(2), one S(3), one S(4), two equivalent S(1), and two equivalent S(6) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 3-coordinate geometry to two equivalent K(2), one Au(2), one S(4), and one S(6) atom. In the second Au site, Au(2) is bonded in a distorted linear geometry to three equivalent K(2), one Au(1), one S(1), and one S(3) atom. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one S(1), one S(4), and two equivalent S(2) atoms to form edge-sharing GeS4 tetrahedra. In the second Ge site, Ge(2) is bonded to one S(3), one S(6), and two equivalent S(5) atoms to form edge-sharing GeS4 tetrahedra. There are six inequivalent S sites. In the first S site, S(6) is bonded in a 4-coordinate geometry to two equivalent K(2), one Au(1), and one Ge(2) atom. In the second S site, S(1) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Au(2), and one Ge(1) atom. In the third S site, S(2) is bonded to two equivalent K(1) and two equivalent Ge(1) atoms to form a mixture of distorted corner and edge-sharing SK2Ge2 trigonal pyramids. In the fourth S site, S(3) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Au(2), and one Ge(2) atom. In the fifth S site, S(4) is bonded in a distorted see-saw-like geometry to one K(1), one K(2), one Au(1), and one Ge(1) atom. In the sixth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1) and two equivalent Ge(2) atoms. is represented by the CIF card [CIF]
data_KGeAuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.499
_cell_length_b   10.800
_cell_length_c   11.579
_cell_angle_alpha   65.671
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1310.254
_cell_formula_units_Z   8
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  0.734  0.672  0.711  1.0
  K  K1  1  0.766  0.034  0.876  1.0
  K  K2  1  0.234  0.828  0.789  1.0
  K  K3  1  0.234  0.966  0.124  1.0
  K  K4  1  0.266  0.466  0.624  1.0
  K  K5  1  0.734  0.534  0.376  1.0
  K  K6  1  0.266  0.328  0.289  1.0
  K  K7  1  0.766  0.172  0.211  1.0
  Ge  Ge8  1  0.001  0.583  0.082  1.0
  Ge  Ge9  1  0.504  0.607  0.057  1.0
  Ge  Ge10  1  0.004  0.893  0.443  1.0
  Ge  Ge11  1  0.499  0.083  0.582  1.0
  Ge  Ge12  1  0.501  0.917  0.418  1.0
  Ge  Ge13  1  0.996  0.107  0.557  1.0
  Ge  Ge14  1  0.496  0.393  0.943  1.0
  Ge  Ge15  1  0.999  0.417  0.918  1.0
  Au  Au16  1  0.089  0.630  0.357  1.0
  Au  Au17  1  0.919  0.835  0.180  1.0
  Au  Au18  1  0.419  0.665  0.320  1.0
  Au  Au19  1  0.911  0.370  0.643  1.0
  Au  Au20  1  0.411  0.130  0.857  1.0
  Au  Au21  1  0.081  0.165  0.820  1.0
  Au  Au22  1  0.589  0.870  0.143  1.0
  Au  Au23  1  0.581  0.335  0.680  1.0
  S  S24  1  0.999  0.811  0.005  1.0
  S  S25  1  0.499  0.689  0.495  1.0
  S  S26  1  0.854  0.489  0.011  1.0
  S  S27  1  0.341  0.653  0.138  1.0
  S  S28  1  0.993  0.528  0.707  1.0
  S  S29  1  0.528  0.375  0.144  1.0
  S  S30  1  0.646  0.989  0.511  1.0
  S  S31  1  0.028  0.125  0.356  1.0
  S  S32  1  0.659  0.347  0.862  1.0
  S  S33  1  0.166  0.788  0.425  1.0
  S  S34  1  0.841  0.847  0.362  1.0
  S  S35  1  0.501  0.311  0.505  1.0
  S  S36  1  0.354  0.011  0.489  1.0
  S  S37  1  0.007  0.472  0.293  1.0
  S  S38  1  0.472  0.625  0.856  1.0
  S  S39  1  0.493  0.972  0.793  1.0
  S  S40  1  0.159  0.153  0.638  1.0
  S  S41  1  0.972  0.875  0.644  1.0
  S  S42  1  0.146  0.511  0.989  1.0
  S  S43  1  0.334  0.288  0.925  1.0
  S  S44  1  0.507  0.028  0.207  1.0
  S  S45  1  0.001  0.189  0.995  1.0
  S  S46  1  0.666  0.712  0.075  1.0
  S  S47  1  0.834  0.212  0.575  1.0
[/CIF]
.
The material structure described by KAuGeS3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(4), two equivalent S(2), and two equivalent S(5) atoms. In the second K site, K(2) is bonded in a 11-coordinate geometry to two equivalent Au(1), three equivalent Au(2), one S(3), one S(4), two equivalent S(1), and two equivalent S(6) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 3-coordinate geometry to two equivalent K(2), one Au(2), one S(4), and one S(6) atom. In the second Au site, Au(2) is bonded in a distorted linear geometry to three equivalent K(2), one Au(1), one S(1), and one S(3) atom. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one S(1), one S(4), and two equivalent S(2) atoms to form edge-sharing GeS4 tetrahedra. In the second Ge site, Ge(2) is bonded to one S(3), one S(6), and two equivalent S(5) atoms to form edge-sharing GeS4 tetrahedra. There are six inequivalent S sites. In the first S site, S(6) is bonded in a 4-coordinate geometry to two equivalent K(2), one Au(1), and one Ge(2) atom. In the second S site, S(1) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Au(2), and one Ge(1) atom. In the third S site, S(2) is bonded to two equivalent K(1) and two equivalent Ge(1) atoms to form a mixture of distorted corner and edge-sharing SK2Ge2 trigonal pyramids. In the fourth S site, S(3) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Au(2), and one Ge(2) atom. In the fifth S site, S(4) is bonded in a distorted see-saw-like geometry to one K(1), one K(2), one Au(1), and one Ge(1) atom. In the sixth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1) and two equivalent Ge(2) atoms. is represented by the CIF card [CIF]
data_KGeAuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.499
_cell_length_b   10.800
_cell_length_c   11.579
_cell_angle_alpha   65.671
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1310.254
_cell_formula_units_Z   8
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  0.734  0.672  0.711  1.0
  K  K1  1  0.766  0.034  0.876  1.0
  K  K2  1  0.234  0.828  0.789  1.0
  K  K3  1  0.234  0.966  0.124  1.0
  K  K4  1  0.266  0.466  0.624  1.0
  K  K5  1  0.734  0.534  0.376  1.0
  K  K6  1  0.266  0.328  0.289  1.0
  K  K7  1  0.766  0.172  0.211  1.0
  Ge  Ge8  1  0.001  0.583  0.082  1.0
  Ge  Ge9  1  0.504  0.607  0.057  1.0
  Ge  Ge10  1  0.004  0.893  0.443  1.0
  Ge  Ge11  1  0.499  0.083  0.582  1.0
  Ge  Ge12  1  0.501  0.917  0.418  1.0
  Ge  Ge13  1  0.996  0.107  0.557  1.0
  Ge  Ge14  1  0.496  0.393  0.943  1.0
  Ge  Ge15  1  0.999  0.417  0.918  1.0
  Au  Au16  1  0.089  0.630  0.357  1.0
  Au  Au17  1  0.919  0.835  0.180  1.0
  Au  Au18  1  0.419  0.665  0.320  1.0
  Au  Au19  1  0.911  0.370  0.643  1.0
  Au  Au20  1  0.411  0.130  0.857  1.0
  Au  Au21  1  0.081  0.165  0.820  1.0
  Au  Au22  1  0.589  0.870  0.143  1.0
  Au  Au23  1  0.581  0.335  0.680  1.0
  S  S24  1  0.999  0.811  0.005  1.0
  S  S25  1  0.499  0.689  0.495  1.0
  S  S26  1  0.854  0.489  0.011  1.0
  S  S27  1  0.341  0.653  0.138  1.0
  S  S28  1  0.993  0.528  0.707  1.0
  S  S29  1  0.528  0.375  0.144  1.0
  S  S30  1  0.646  0.989  0.511  1.0
  S  S31  1  0.028  0.125  0.356  1.0
  S  S32  1  0.659  0.347  0.862  1.0
  S  S33  1  0.166  0.788  0.425  1.0
  S  S34  1  0.841  0.847  0.362  1.0
  S  S35  1  0.501  0.311  0.505  1.0
  S  S36  1  0.354  0.011  0.489  1.0
  S  S37  1  0.007  0.472  0.293  1.0
  S  S38  1  0.472  0.625  0.856  1.0
  S  S39  1  0.493  0.972  0.793  1.0
  S  S40  1  0.159  0.153  0.638  1.0
  S  S41  1  0.972  0.875  0.644  1.0
  S  S42  1  0.146  0.511  0.989  1.0
  S  S43  1  0.334  0.288  0.925  1.0
  S  S44  1  0.507  0.028  0.207  1.0
  S  S45  1  0.001  0.189  0.995  1.0
  S  S46  1  0.666  0.712  0.075  1.0
  S  S47  1  0.834  0.212  0.575  1.0
[/CIF]
.