The structure described by K3GeS3 crystallizes in the monoclinic C2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. Ge(1) is bonded in a distorted trigonal non-coplanar geometry to one S(2) and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Ge(1) atom. In the second S site, S(2) is bonded to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing SK6Ge pentagonal bipyramids. is represented by the CIF card [CIF]
data_K3GeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.581
_cell_length_b   7.581
_cell_length_c   8.199
_cell_angle_alpha   104.782
_cell_angle_beta   104.782
_cell_angle_gamma   109.879
_symmetry_Int_Tables_number   1
_cell_volume   397.029
_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  0.216  0.216  0.685  1.0
  K  K1  1  0.784  0.784  0.315  1.0
  K  K2  1  0.000  0.500  0.000  1.0
  K  K3  1  0.500  0.000  0.000  1.0
  K  K4  1  0.332  0.668  0.500  1.0
  K  K5  1  0.668  0.332  0.500  1.0
  Ge  Ge6  1  0.882  0.882  0.844  1.0
  Ge  Ge7  1  0.118  0.118  0.156  1.0
  S  S8  1  0.243  0.950  0.300  1.0
  S  S9  1  0.050  0.757  0.700  1.0
  S  S10  1  0.631  0.631  0.858  1.0
  S  S11  1  0.369  0.369  0.142  1.0
  S  S12  1  0.757  0.050  0.700  1.0
  S  S13  1  0.950  0.243  0.300  1.0
[/CIF]
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The structure described by K3GeS3 crystallizes in the monoclinic C2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. Ge(1) is bonded in a distorted trigonal non-coplanar geometry to one S(2) and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Ge(1) atom. In the second S site, S(2) is bonded to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing SK6Ge pentagonal bipyramids. is represented by the CIF card [CIF]
data_K3GeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.581
_cell_length_b   7.581
_cell_length_c   8.199
_cell_angle_alpha   104.782
_cell_angle_beta   104.782
_cell_angle_gamma   109.879
_symmetry_Int_Tables_number   1
_cell_volume   397.029
_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  0.216  0.216  0.685  1.0
  K  K1  1  0.784  0.784  0.315  1.0
  K  K2  1  0.000  0.500  0.000  1.0
  K  K3  1  0.500  0.000  0.000  1.0
  K  K4  1  0.332  0.668  0.500  1.0
  K  K5  1  0.668  0.332  0.500  1.0
  Ge  Ge6  1  0.882  0.882  0.844  1.0
  Ge  Ge7  1  0.118  0.118  0.156  1.0
  S  S8  1  0.243  0.950  0.300  1.0
  S  S9  1  0.050  0.757  0.700  1.0
  S  S10  1  0.631  0.631  0.858  1.0
  S  S11  1  0.369  0.369  0.142  1.0
  S  S12  1  0.757  0.050  0.700  1.0
  S  S13  1  0.950  0.243  0.300  1.0
[/CIF]
.