The crystal structure described by K3V(SO)2 crystallizes in the monoclinic P2_1/c 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(1), three equivalent S(2), and one O(2) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), one O(2), and three equivalent O(1) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to two equivalent S(1), two equivalent S(2), one O(1), and one O(2) atom. V(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one O(1), and one O(2) atom. 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 V(1) atom. In the second S site, S(2) is bonded in a 7-coordinate geometry to one K(2), two equivalent K(3), three equivalent K(1), and one V(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one K(3), three equivalent K(2), and one V(1) atom. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one K(1), one K(2), one K(3), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3V(SO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.398
_cell_length_b   10.706
_cell_length_c   11.829
_cell_angle_alpha   58.173
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   796.105
_cell_formula_units_Z   4
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  0.741  0.063  0.882  1.0
  K  K1  1  0.864  0.516  0.160  1.0
  K  K2  1  0.259  0.937  0.118  1.0
  K  K3  1  0.759  0.063  0.382  1.0
  K  K4  1  0.136  0.484  0.840  1.0
  K  K5  1  0.725  0.769  0.794  1.0
  K  K6  1  0.364  0.484  0.340  1.0
  K  K7  1  0.225  0.231  0.706  1.0
  K  K8  1  0.275  0.231  0.206  1.0
  K  K9  1  0.775  0.769  0.294  1.0
  K  K10  1  0.241  0.937  0.618  1.0
  K  K11  1  0.636  0.516  0.660  1.0
  V  V12  1  0.699  0.307  0.028  1.0
  V  V13  1  0.801  0.307  0.528  1.0
  V  V14  1  0.301  0.693  0.972  1.0
  V  V15  1  0.199  0.693  0.472  1.0
  S  S16  1  0.465  0.250  0.943  1.0
  S  S17  1  0.581  0.139  0.591  1.0
  S  S18  1  0.965  0.750  0.557  1.0
  S  S19  1  0.535  0.750  0.057  1.0
  S  S20  1  0.035  0.250  0.443  1.0
  S  S21  1  0.081  0.861  0.909  1.0
  S  S22  1  0.419  0.861  0.409  1.0
  S  S23  1  0.919  0.139  0.091  1.0
  O  O24  1  0.284  0.525  0.585  1.0
  O  O25  1  0.630  0.305  0.166  1.0
  O  O26  1  0.784  0.475  0.915  1.0
  O  O27  1  0.216  0.525  0.085  1.0
  O  O28  1  0.870  0.305  0.666  1.0
  O  O29  1  0.716  0.475  0.415  1.0
  O  O30  1  0.130  0.695  0.334  1.0
  O  O31  1  0.370  0.695  0.834  1.0
[/CIF]
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The crystal structure described by K3V(SO)2 crystallizes in the monoclinic P2_1/c 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(1), three equivalent S(2), and one O(2) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), one O(2), and three equivalent O(1) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to two equivalent S(1), two equivalent S(2), one O(1), and one O(2) atom. V(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one O(1), and one O(2) atom. 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 V(1) atom. In the second S site, S(2) is bonded in a 7-coordinate geometry to one K(2), two equivalent K(3), three equivalent K(1), and one V(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one K(3), three equivalent K(2), and one V(1) atom. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one K(1), one K(2), one K(3), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3V(SO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.398
_cell_length_b   10.706
_cell_length_c   11.829
_cell_angle_alpha   58.173
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   796.105
_cell_formula_units_Z   4
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  0.741  0.063  0.882  1.0
  K  K1  1  0.864  0.516  0.160  1.0
  K  K2  1  0.259  0.937  0.118  1.0
  K  K3  1  0.759  0.063  0.382  1.0
  K  K4  1  0.136  0.484  0.840  1.0
  K  K5  1  0.725  0.769  0.794  1.0
  K  K6  1  0.364  0.484  0.340  1.0
  K  K7  1  0.225  0.231  0.706  1.0
  K  K8  1  0.275  0.231  0.206  1.0
  K  K9  1  0.775  0.769  0.294  1.0
  K  K10  1  0.241  0.937  0.618  1.0
  K  K11  1  0.636  0.516  0.660  1.0
  V  V12  1  0.699  0.307  0.028  1.0
  V  V13  1  0.801  0.307  0.528  1.0
  V  V14  1  0.301  0.693  0.972  1.0
  V  V15  1  0.199  0.693  0.472  1.0
  S  S16  1  0.465  0.250  0.943  1.0
  S  S17  1  0.581  0.139  0.591  1.0
  S  S18  1  0.965  0.750  0.557  1.0
  S  S19  1  0.535  0.750  0.057  1.0
  S  S20  1  0.035  0.250  0.443  1.0
  S  S21  1  0.081  0.861  0.909  1.0
  S  S22  1  0.419  0.861  0.409  1.0
  S  S23  1  0.919  0.139  0.091  1.0
  O  O24  1  0.284  0.525  0.585  1.0
  O  O25  1  0.630  0.305  0.166  1.0
  O  O26  1  0.784  0.475  0.915  1.0
  O  O27  1  0.216  0.525  0.085  1.0
  O  O28  1  0.870  0.305  0.666  1.0
  O  O29  1  0.716  0.475  0.415  1.0
  O  O30  1  0.130  0.695  0.334  1.0
  O  O31  1  0.370  0.695  0.834  1.0
[/CIF]
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