The material described by K3GeH3S3O2 crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one H(1), two equivalent S(1), two equivalent S(3), one O(1), and one O(2) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to one H(3), one S(3), three equivalent S(2), one O(1), and one O(2) atom. In the third K site, K(3) is bonded in a 7-coordinate geometry to one H(3), one S(2), one S(3), two equivalent S(1), one O(1), and one O(2) atom. Ge(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one O(2) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one K(1) and one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one K(2), one K(3), and one O(2) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 1-coordinate geometry to two equivalent K(1), two equivalent K(3), and one Ge(1) atom. In the second S site, S(2) is bonded in a 1-coordinate geometry to one K(3), three equivalent K(2), and one Ge(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one K(2), one K(3), two equivalent K(1), and one Ge(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one K(1), one K(2), one K(3), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), one Ge(1), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3GeH3S3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.803
_cell_length_b   7.549
_cell_length_c   10.154
_cell_angle_alpha   87.933
_cell_angle_beta   98.186
_cell_angle_gamma   110.379
_symmetry_Int_Tables_number   1
_cell_volume   483.782
_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  0.236  0.360  0.052  1.0
  K  K1  1  0.764  0.640  0.948  1.0
  K  K2  1  0.749  0.762  0.558  1.0
  K  K3  1  0.251  0.238  0.442  1.0
  K  K4  1  0.606  0.122  0.774  1.0
  K  K5  1  0.394  0.878  0.226  1.0
  Ge  Ge6  1  0.805  0.385  0.276  1.0
  Ge  Ge7  1  0.195  0.615  0.724  1.0
  H  H8  1  0.064  0.940  0.828  1.0
  H  H9  1  0.936  0.060  0.172  1.0
  H  H10  1  0.060  0.129  0.764  1.0
  H  H11  1  0.940  0.871  0.236  1.0
  H  H12  1  0.860  0.416  0.623  1.0
  H  H13  1  0.140  0.584  0.377  1.0
  S  S14  1  0.735  0.222  0.088  1.0
  S  S15  1  0.265  0.778  0.912  1.0
  S  S16  1  0.270  0.798  0.550  1.0
  S  S17  1  0.660  0.606  0.256  1.0
  S  S18  1  0.340  0.394  0.744  1.0
  S  S19  1  0.730  0.202  0.450  1.0
  O  O20  1  0.038  0.996  0.210  1.0
  O  O21  1  0.098  0.504  0.294  1.0
  O  O22  1  0.902  0.496  0.706  1.0
  O  O23  1  0.962  0.004  0.790  1.0
[/CIF]
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The material described by K3GeH3S3O2 crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one H(1), two equivalent S(1), two equivalent S(3), one O(1), and one O(2) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to one H(3), one S(3), three equivalent S(2), one O(1), and one O(2) atom. In the third K site, K(3) is bonded in a 7-coordinate geometry to one H(3), one S(2), one S(3), two equivalent S(1), one O(1), and one O(2) atom. Ge(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one O(2) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one K(1) and one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one K(2), one K(3), and one O(2) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 1-coordinate geometry to two equivalent K(1), two equivalent K(3), and one Ge(1) atom. In the second S site, S(2) is bonded in a 1-coordinate geometry to one K(3), three equivalent K(2), and one Ge(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one K(2), one K(3), two equivalent K(1), and one Ge(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one K(1), one K(2), one K(3), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), one Ge(1), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3GeH3S3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.803
_cell_length_b   7.549
_cell_length_c   10.154
_cell_angle_alpha   87.933
_cell_angle_beta   98.186
_cell_angle_gamma   110.379
_symmetry_Int_Tables_number   1
_cell_volume   483.782
_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  0.236  0.360  0.052  1.0
  K  K1  1  0.764  0.640  0.948  1.0
  K  K2  1  0.749  0.762  0.558  1.0
  K  K3  1  0.251  0.238  0.442  1.0
  K  K4  1  0.606  0.122  0.774  1.0
  K  K5  1  0.394  0.878  0.226  1.0
  Ge  Ge6  1  0.805  0.385  0.276  1.0
  Ge  Ge7  1  0.195  0.615  0.724  1.0
  H  H8  1  0.064  0.940  0.828  1.0
  H  H9  1  0.936  0.060  0.172  1.0
  H  H10  1  0.060  0.129  0.764  1.0
  H  H11  1  0.940  0.871  0.236  1.0
  H  H12  1  0.860  0.416  0.623  1.0
  H  H13  1  0.140  0.584  0.377  1.0
  S  S14  1  0.735  0.222  0.088  1.0
  S  S15  1  0.265  0.778  0.912  1.0
  S  S16  1  0.270  0.798  0.550  1.0
  S  S17  1  0.660  0.606  0.256  1.0
  S  S18  1  0.340  0.394  0.744  1.0
  S  S19  1  0.730  0.202  0.450  1.0
  O  O20  1  0.038  0.996  0.210  1.0
  O  O21  1  0.098  0.504  0.294  1.0
  O  O22  1  0.902  0.496  0.706  1.0
  O  O23  1  0.962  0.004  0.790  1.0
[/CIF]
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