The compound described by KVHSe2O7 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. V(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. H(1) is bonded in a linear geometry to two equivalent O(4) atoms. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one V(1), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one K(1), one V(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(1), one H(1), and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KVHSe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.623
_cell_length_b   4.159
_cell_length_c   7.959
_cell_angle_alpha   83.163
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.153
_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  0.250  0.900  0.553  1.0
  K  K1  1  0.750  0.100  0.447  1.0
  V  V2  1  0.750  0.950  0.943  1.0
  V  V3  1  0.250  0.050  0.057  1.0
  H  H4  1  0.000  0.500  0.500  1.0
  H  H5  1  0.500  0.500  0.500  1.0
  Se  Se6  1  0.989  0.710  0.190  1.0
  Se  Se7  1  0.489  0.290  0.810  1.0
  Se  Se8  1  0.011  0.290  0.810  1.0
  Se  Se9  1  0.511  0.710  0.190  1.0
  O  O10  1  0.750  0.547  0.952  1.0
  O  O11  1  0.250  0.453  0.048  1.0
  O  O12  1  0.883  0.016  0.119  1.0
  O  O13  1  0.383  0.984  0.881  1.0
  O  O14  1  0.117  0.984  0.881  1.0
  O  O15  1  0.617  0.016  0.119  1.0
  O  O16  1  0.121  0.927  0.239  1.0
  O  O17  1  0.621  0.073  0.761  1.0
  O  O18  1  0.879  0.073  0.761  1.0
  O  O19  1  0.379  0.927  0.239  1.0
  O  O20  1  0.926  0.615  0.392  1.0
  O  O21  1  0.426  0.385  0.608  1.0
  O  O22  1  0.074  0.385  0.608  1.0
  O  O23  1  0.574  0.615  0.392  1.0
[/CIF]
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The compound described by KVHSe2O7 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. V(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. H(1) is bonded in a linear geometry to two equivalent O(4) atoms. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one V(1), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one K(1), one V(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(1), one H(1), and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KVHSe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.623
_cell_length_b   4.159
_cell_length_c   7.959
_cell_angle_alpha   83.163
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.153
_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  0.250  0.900  0.553  1.0
  K  K1  1  0.750  0.100  0.447  1.0
  V  V2  1  0.750  0.950  0.943  1.0
  V  V3  1  0.250  0.050  0.057  1.0
  H  H4  1  0.000  0.500  0.500  1.0
  H  H5  1  0.500  0.500  0.500  1.0
  Se  Se6  1  0.989  0.710  0.190  1.0
  Se  Se7  1  0.489  0.290  0.810  1.0
  Se  Se8  1  0.011  0.290  0.810  1.0
  Se  Se9  1  0.511  0.710  0.190  1.0
  O  O10  1  0.750  0.547  0.952  1.0
  O  O11  1  0.250  0.453  0.048  1.0
  O  O12  1  0.883  0.016  0.119  1.0
  O  O13  1  0.383  0.984  0.881  1.0
  O  O14  1  0.117  0.984  0.881  1.0
  O  O15  1  0.617  0.016  0.119  1.0
  O  O16  1  0.121  0.927  0.239  1.0
  O  O17  1  0.621  0.073  0.761  1.0
  O  O18  1  0.879  0.073  0.761  1.0
  O  O19  1  0.379  0.927  0.239  1.0
  O  O20  1  0.926  0.615  0.392  1.0
  O  O21  1  0.426  0.385  0.608  1.0
  O  O22  1  0.074  0.385  0.608  1.0
  O  O23  1  0.574  0.615  0.392  1.0
[/CIF]
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