The material described by KVH2SO7 crystallizes in the orthorhombic P2_12_12_1 space group. K(1) is bonded in a 9-coordinate geometry to one O(3), one O(5), one O(6), one O(7), two equivalent O(2), and three equivalent O(4) atoms. V(1) is bonded in a 6-coordinate geometry to one O(2), one O(5), one O(6), one O(7), and two equivalent O(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. S(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to three equivalent K(1) and one S(1) atom. In the second O site, O(5) is bonded in a 2-coordinate geometry to one K(1), one V(1), and one S(1) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one V(1), and one S(1) atom. In the fourth O site, O(7) is bonded in a water-like geometry to one K(1), one V(1), one H(1), and one H(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the sixth O site, O(2) is bonded in a single-bond geometry to two equivalent K(1) and one V(1) atom. In the seventh O site, O(3) is bonded in a single-bond geometry to one K(1) and one S(1) atom. is represented by the CIF file [CIF]
data_KVH2SO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.722
_cell_length_b   10.869
_cell_length_c   11.667
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   598.733
_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  0.794  0.590  0.912  1.0
  K  K1  1  0.706  0.410  0.412  1.0
  K  K2  1  0.294  0.910  0.088  1.0
  K  K3  1  0.206  0.090  0.588  1.0
  V  V4  1  0.834  0.793  0.600  1.0
  V  V5  1  0.666  0.207  0.100  1.0
  V  V6  1  0.334  0.707  0.400  1.0
  V  V7  1  0.166  0.293  0.900  1.0
  H  H8  1  0.904  0.542  0.651  1.0
  H  H9  1  0.596  0.458  0.151  1.0
  H  H10  1  0.404  0.958  0.349  1.0
  H  H11  1  0.096  0.042  0.849  1.0
  H  H12  1  0.777  0.083  0.835  1.0
  H  H13  1  0.723  0.917  0.335  1.0
  H  H14  1  0.277  0.417  0.165  1.0
  H  H15  1  0.223  0.583  0.665  1.0
  S  S16  1  0.865  0.670  0.199  1.0
  S  S17  1  0.635  0.330  0.699  1.0
  S  S18  1  0.365  0.830  0.801  1.0
  S  S19  1  0.135  0.170  0.301  1.0
  O  O20  1  0.874  0.302  0.013  1.0
  O  O21  1  0.626  0.698  0.513  1.0
  O  O22  1  0.374  0.198  0.987  1.0
  O  O23  1  0.126  0.802  0.487  1.0
  O  O24  1  0.299  0.430  0.920  1.0
  O  O25  1  0.201  0.570  0.420  1.0
  O  O26  1  0.799  0.070  0.080  1.0
  O  O27  1  0.701  0.930  0.580  1.0
  O  O28  1  0.964  0.551  0.154  1.0
  O  O29  1  0.536  0.449  0.654  1.0
  O  O30  1  0.464  0.949  0.846  1.0
  O  O31  1  0.036  0.051  0.346  1.0
  O  O32  1  0.251  0.751  0.891  1.0
  O  O33  1  0.249  0.249  0.391  1.0
  O  O34  1  0.751  0.749  0.109  1.0
  O  O35  1  0.749  0.251  0.609  1.0
  O  O36  1  0.851  0.359  0.791  1.0
  O  O37  1  0.649  0.641  0.291  1.0
  O  O38  1  0.351  0.141  0.209  1.0
  O  O39  1  0.149  0.859  0.709  1.0
  O  O40  1  0.108  0.741  0.255  1.0
  O  O41  1  0.392  0.259  0.755  1.0
  O  O42  1  0.608  0.759  0.745  1.0
  O  O43  1  0.892  0.241  0.245  1.0
  O  O44  1  0.974  0.112  0.830  1.0
  O  O45  1  0.526  0.888  0.330  1.0
  O  O46  1  0.474  0.388  0.170  1.0
  O  O47  1  0.026  0.612  0.670  1.0
[/CIF]
.
The material described by KVH2SO7 crystallizes in the orthorhombic P2_12_12_1 space group. K(1) is bonded in a 9-coordinate geometry to one O(3), one O(5), one O(6), one O(7), two equivalent O(2), and three equivalent O(4) atoms. V(1) is bonded in a 6-coordinate geometry to one O(2), one O(5), one O(6), one O(7), and two equivalent O(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. S(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to three equivalent K(1) and one S(1) atom. In the second O site, O(5) is bonded in a 2-coordinate geometry to one K(1), one V(1), and one S(1) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one V(1), and one S(1) atom. In the fourth O site, O(7) is bonded in a water-like geometry to one K(1), one V(1), one H(1), and one H(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the sixth O site, O(2) is bonded in a single-bond geometry to two equivalent K(1) and one V(1) atom. In the seventh O site, O(3) is bonded in a single-bond geometry to one K(1) and one S(1) atom. is represented by the CIF file [CIF]
data_KVH2SO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.722
_cell_length_b   10.869
_cell_length_c   11.667
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   598.733
_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  0.794  0.590  0.912  1.0
  K  K1  1  0.706  0.410  0.412  1.0
  K  K2  1  0.294  0.910  0.088  1.0
  K  K3  1  0.206  0.090  0.588  1.0
  V  V4  1  0.834  0.793  0.600  1.0
  V  V5  1  0.666  0.207  0.100  1.0
  V  V6  1  0.334  0.707  0.400  1.0
  V  V7  1  0.166  0.293  0.900  1.0
  H  H8  1  0.904  0.542  0.651  1.0
  H  H9  1  0.596  0.458  0.151  1.0
  H  H10  1  0.404  0.958  0.349  1.0
  H  H11  1  0.096  0.042  0.849  1.0
  H  H12  1  0.777  0.083  0.835  1.0
  H  H13  1  0.723  0.917  0.335  1.0
  H  H14  1  0.277  0.417  0.165  1.0
  H  H15  1  0.223  0.583  0.665  1.0
  S  S16  1  0.865  0.670  0.199  1.0
  S  S17  1  0.635  0.330  0.699  1.0
  S  S18  1  0.365  0.830  0.801  1.0
  S  S19  1  0.135  0.170  0.301  1.0
  O  O20  1  0.874  0.302  0.013  1.0
  O  O21  1  0.626  0.698  0.513  1.0
  O  O22  1  0.374  0.198  0.987  1.0
  O  O23  1  0.126  0.802  0.487  1.0
  O  O24  1  0.299  0.430  0.920  1.0
  O  O25  1  0.201  0.570  0.420  1.0
  O  O26  1  0.799  0.070  0.080  1.0
  O  O27  1  0.701  0.930  0.580  1.0
  O  O28  1  0.964  0.551  0.154  1.0
  O  O29  1  0.536  0.449  0.654  1.0
  O  O30  1  0.464  0.949  0.846  1.0
  O  O31  1  0.036  0.051  0.346  1.0
  O  O32  1  0.251  0.751  0.891  1.0
  O  O33  1  0.249  0.249  0.391  1.0
  O  O34  1  0.751  0.749  0.109  1.0
  O  O35  1  0.749  0.251  0.609  1.0
  O  O36  1  0.851  0.359  0.791  1.0
  O  O37  1  0.649  0.641  0.291  1.0
  O  O38  1  0.351  0.141  0.209  1.0
  O  O39  1  0.149  0.859  0.709  1.0
  O  O40  1  0.108  0.741  0.255  1.0
  O  O41  1  0.392  0.259  0.755  1.0
  O  O42  1  0.608  0.759  0.745  1.0
  O  O43  1  0.892  0.241  0.245  1.0
  O  O44  1  0.974  0.112  0.830  1.0
  O  O45  1  0.526  0.888  0.330  1.0
  O  O46  1  0.474  0.388  0.170  1.0
  O  O47  1  0.026  0.612  0.670  1.0
[/CIF]
.