The compound described by K3MoHS4O crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 1-coordinate geometry to two equivalent S(1), two equivalent S(2), and one O(1) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to one H(1), two equivalent S(3), four equivalent S(1), and one O(1) atom. Mo(1) is bonded in a distorted tetrahedral geometry to one S(2), two equivalent S(1), and one O(1) atom. H(1) is bonded in a single-bond geometry to one K(2) and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Mo(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Mo(1) atom. In the third S site, S(3) is bonded in a distorted single-bond geometry to two equivalent K(2) and one H(1) atom. O(1) is bonded in a distorted trigonal pyramidal geometry to one K(2), two equivalent K(1), and one Mo(1) atom. is represented by the CIF file [CIF]
data_K3MoHS4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.509
_cell_length_b   8.284
_cell_length_c   9.742
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   525.324
_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  0.895  0.740  0.772  1.0
  K  K1  1  0.895  0.740  0.228  1.0
  K  K2  1  0.105  0.240  0.728  1.0
  K  K3  1  0.105  0.240  0.272  1.0
  K  K4  1  0.501  0.498  0.500  1.0
  K  K5  1  0.499  0.998  0.000  1.0
  Mo  Mo6  1  0.499  0.990  0.500  1.0
  Mo  Mo7  1  0.501  0.490  0.000  1.0
  H  H8  1  0.091  0.666  0.500  1.0
  H  H9  1  0.909  0.166  0.000  1.0
  S  S10  1  0.406  0.851  0.686  1.0
  S  S11  1  0.406  0.851  0.314  1.0
  S  S12  1  0.594  0.351  0.814  1.0
  S  S13  1  0.594  0.351  0.186  1.0
  S  S14  1  0.839  0.022  0.500  1.0
  S  S15  1  0.161  0.522  0.000  1.0
  S  S16  1  0.997  0.520  0.500  1.0
  S  S17  1  0.003  0.020  0.000  1.0
  O  O18  1  0.371  0.179  0.500  1.0
  O  O19  1  0.629  0.679  0.000  1.0
[/CIF]
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The compound described by K3MoHS4O crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 1-coordinate geometry to two equivalent S(1), two equivalent S(2), and one O(1) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to one H(1), two equivalent S(3), four equivalent S(1), and one O(1) atom. Mo(1) is bonded in a distorted tetrahedral geometry to one S(2), two equivalent S(1), and one O(1) atom. H(1) is bonded in a single-bond geometry to one K(2) and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Mo(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Mo(1) atom. In the third S site, S(3) is bonded in a distorted single-bond geometry to two equivalent K(2) and one H(1) atom. O(1) is bonded in a distorted trigonal pyramidal geometry to one K(2), two equivalent K(1), and one Mo(1) atom. is represented by the CIF file [CIF]
data_K3MoHS4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.509
_cell_length_b   8.284
_cell_length_c   9.742
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   525.324
_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  0.895  0.740  0.772  1.0
  K  K1  1  0.895  0.740  0.228  1.0
  K  K2  1  0.105  0.240  0.728  1.0
  K  K3  1  0.105  0.240  0.272  1.0
  K  K4  1  0.501  0.498  0.500  1.0
  K  K5  1  0.499  0.998  0.000  1.0
  Mo  Mo6  1  0.499  0.990  0.500  1.0
  Mo  Mo7  1  0.501  0.490  0.000  1.0
  H  H8  1  0.091  0.666  0.500  1.0
  H  H9  1  0.909  0.166  0.000  1.0
  S  S10  1  0.406  0.851  0.686  1.0
  S  S11  1  0.406  0.851  0.314  1.0
  S  S12  1  0.594  0.351  0.814  1.0
  S  S13  1  0.594  0.351  0.186  1.0
  S  S14  1  0.839  0.022  0.500  1.0
  S  S15  1  0.161  0.522  0.000  1.0
  S  S16  1  0.997  0.520  0.500  1.0
  S  S17  1  0.003  0.020  0.000  1.0
  O  O18  1  0.371  0.179  0.500  1.0
  O  O19  1  0.629  0.679  0.000  1.0
[/CIF]
.