The material structure described by K4MgMo2(SO3)2 crystallizes in the monoclinic C2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one S(1), one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. Mg(1) is bonded to two equivalent S(1) and two equivalent O(1) atoms to form distorted MgS2O2 tetrahedra that share corners with four equivalent Mo(1)SO3 tetrahedra. Mo(1) is bonded to one S(1), one O(1), one O(2), and one O(3) atom to form distorted MoSO3 tetrahedra that share corners with two equivalent Mg(1)S2O2 tetrahedra. S(1) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), and one Mo(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one Mg(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Mo(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_K4MgMo2(SO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.488
_cell_length_b   6.820
_cell_length_c   8.728
_cell_angle_alpha   103.920
_cell_angle_beta   90.000
_cell_angle_gamma   118.398
_symmetry_Int_Tables_number   1
_cell_volume   326.776
_cell_formula_units_Z   1
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  0.495  0.948  0.162  1.0
  K  K1  1  0.546  0.052  0.838  1.0
  K  K2  1  0.201  0.385  0.803  1.0
  K  K3  1  0.816  0.615  0.197  1.0
  Mg  Mg4  1  0.767  0.000  0.500  1.0
  Mo  Mo5  1  0.148  0.295  0.223  1.0
  Mo  Mo6  1  0.853  0.705  0.777  1.0
  S  S7  1  0.348  0.665  0.412  1.0
  S  S8  1  0.683  0.335  0.588  1.0
  O  O9  1  0.949  0.064  0.324  1.0
  O  O10  1  0.884  0.936  0.676  1.0
  O  O11  1  0.936  0.298  0.086  1.0
  O  O12  1  0.376  0.255  0.125  1.0
  O  O13  1  0.121  0.745  0.875  1.0
  O  O14  1  0.638  0.702  0.914  1.0
[/CIF]
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The material structure described by K4MgMo2(SO3)2 crystallizes in the monoclinic C2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one S(1), one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. Mg(1) is bonded to two equivalent S(1) and two equivalent O(1) atoms to form distorted MgS2O2 tetrahedra that share corners with four equivalent Mo(1)SO3 tetrahedra. Mo(1) is bonded to one S(1), one O(1), one O(2), and one O(3) atom to form distorted MoSO3 tetrahedra that share corners with two equivalent Mg(1)S2O2 tetrahedra. S(1) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), and one Mo(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one Mg(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Mo(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_K4MgMo2(SO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.488
_cell_length_b   6.820
_cell_length_c   8.728
_cell_angle_alpha   103.920
_cell_angle_beta   90.000
_cell_angle_gamma   118.398
_symmetry_Int_Tables_number   1
_cell_volume   326.776
_cell_formula_units_Z   1
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  0.495  0.948  0.162  1.0
  K  K1  1  0.546  0.052  0.838  1.0
  K  K2  1  0.201  0.385  0.803  1.0
  K  K3  1  0.816  0.615  0.197  1.0
  Mg  Mg4  1  0.767  0.000  0.500  1.0
  Mo  Mo5  1  0.148  0.295  0.223  1.0
  Mo  Mo6  1  0.853  0.705  0.777  1.0
  S  S7  1  0.348  0.665  0.412  1.0
  S  S8  1  0.683  0.335  0.588  1.0
  O  O9  1  0.949  0.064  0.324  1.0
  O  O10  1  0.884  0.936  0.676  1.0
  O  O11  1  0.936  0.298  0.086  1.0
  O  O12  1  0.376  0.255  0.125  1.0
  O  O13  1  0.121  0.745  0.875  1.0
  O  O14  1  0.638  0.702  0.914  1.0
[/CIF]
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