The material described by KVHO3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent H(1), two equivalent O(1), and four equivalent O(3) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), and three equivalent O(2) atoms. H(1) is bonded in a distorted L-shaped geometry to two equivalent K(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent K(1) and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent K(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KVHO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.756
_cell_length_b   8.115
_cell_length_c   13.716
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   418.105
_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  0.750  0.749  0.231  1.0
  K  K1  1  0.250  0.251  0.769  1.0
  K  K2  1  0.250  0.751  0.731  1.0
  K  K3  1  0.750  0.249  0.269  1.0
  V  V4  1  0.750  0.574  0.919  1.0
  V  V5  1  0.250  0.426  0.081  1.0
  V  V6  1  0.250  0.926  0.419  1.0
  V  V7  1  0.750  0.074  0.581  1.0
  H  H8  1  0.750  0.615  0.585  1.0
  H  H9  1  0.250  0.385  0.415  1.0
  H  H10  1  0.250  0.885  0.085  1.0
  H  H11  1  0.750  0.115  0.915  1.0
  O  O12  1  0.750  0.777  0.904  1.0
  O  O13  1  0.250  0.223  0.096  1.0
  O  O14  1  0.250  0.723  0.404  1.0
  O  O15  1  0.750  0.277  0.596  1.0
  O  O16  1  0.750  0.965  0.450  1.0
  O  O17  1  0.250  0.035  0.550  1.0
  O  O18  1  0.250  0.535  0.950  1.0
  O  O19  1  0.750  0.465  0.050  1.0
  O  O20  1  0.750  0.988  0.694  1.0
  O  O21  1  0.250  0.012  0.306  1.0
  O  O22  1  0.250  0.512  0.194  1.0
  O  O23  1  0.750  0.488  0.806  1.0
[/CIF]
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The material described by KVHO3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent H(1), two equivalent O(1), and four equivalent O(3) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), and three equivalent O(2) atoms. H(1) is bonded in a distorted L-shaped geometry to two equivalent K(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent K(1) and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent K(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KVHO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.756
_cell_length_b   8.115
_cell_length_c   13.716
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   418.105
_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  0.750  0.749  0.231  1.0
  K  K1  1  0.250  0.251  0.769  1.0
  K  K2  1  0.250  0.751  0.731  1.0
  K  K3  1  0.750  0.249  0.269  1.0
  V  V4  1  0.750  0.574  0.919  1.0
  V  V5  1  0.250  0.426  0.081  1.0
  V  V6  1  0.250  0.926  0.419  1.0
  V  V7  1  0.750  0.074  0.581  1.0
  H  H8  1  0.750  0.615  0.585  1.0
  H  H9  1  0.250  0.385  0.415  1.0
  H  H10  1  0.250  0.885  0.085  1.0
  H  H11  1  0.750  0.115  0.915  1.0
  O  O12  1  0.750  0.777  0.904  1.0
  O  O13  1  0.250  0.223  0.096  1.0
  O  O14  1  0.250  0.723  0.404  1.0
  O  O15  1  0.750  0.277  0.596  1.0
  O  O16  1  0.750  0.965  0.450  1.0
  O  O17  1  0.250  0.035  0.550  1.0
  O  O18  1  0.250  0.535  0.950  1.0
  O  O19  1  0.750  0.465  0.050  1.0
  O  O20  1  0.750  0.988  0.694  1.0
  O  O21  1  0.250  0.012  0.306  1.0
  O  O22  1  0.250  0.512  0.194  1.0
  O  O23  1  0.750  0.488  0.806  1.0
[/CIF]
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