The crystal structure described by KVO3 crystallizes in the orthorhombic Pbcm space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing VO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one V(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.197
_cell_length_b   5.655
_cell_length_c   10.658
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.272
_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  0.059  0.750  0.105  1.0
  K  K1  1  0.059  0.250  0.395  1.0
  K  K2  1  0.941  0.250  0.895  1.0
  K  K3  1  0.941  0.750  0.605  1.0
  V  V4  1  0.476  0.750  0.840  1.0
  V  V5  1  0.476  0.250  0.660  1.0
  V  V6  1  0.524  0.250  0.160  1.0
  V  V7  1  0.524  0.750  0.340  1.0
  O  O8  1  0.393  0.750  0.481  1.0
  O  O9  1  0.393  0.250  0.019  1.0
  O  O10  1  0.607  0.250  0.519  1.0
  O  O11  1  0.607  0.750  0.981  1.0
  O  O12  1  0.843  0.750  0.351  1.0
  O  O13  1  0.843  0.250  0.149  1.0
  O  O14  1  0.157  0.250  0.649  1.0
  O  O15  1  0.157  0.750  0.851  1.0
  O  O16  1  0.588  0.000  0.750  1.0
  O  O17  1  0.412  0.500  0.250  1.0
  O  O18  1  0.412  0.000  0.250  1.0
  O  O19  1  0.588  0.500  0.750  1.0
[/CIF]
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The crystal structure described by KVO3 crystallizes in the orthorhombic Pbcm space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing VO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one V(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.197
_cell_length_b   5.655
_cell_length_c   10.658
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.272
_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  0.059  0.750  0.105  1.0
  K  K1  1  0.059  0.250  0.395  1.0
  K  K2  1  0.941  0.250  0.895  1.0
  K  K3  1  0.941  0.750  0.605  1.0
  V  V4  1  0.476  0.750  0.840  1.0
  V  V5  1  0.476  0.250  0.660  1.0
  V  V6  1  0.524  0.250  0.160  1.0
  V  V7  1  0.524  0.750  0.340  1.0
  O  O8  1  0.393  0.750  0.481  1.0
  O  O9  1  0.393  0.250  0.019  1.0
  O  O10  1  0.607  0.250  0.519  1.0
  O  O11  1  0.607  0.750  0.981  1.0
  O  O12  1  0.843  0.750  0.351  1.0
  O  O13  1  0.843  0.250  0.149  1.0
  O  O14  1  0.157  0.250  0.649  1.0
  O  O15  1  0.157  0.750  0.851  1.0
  O  O16  1  0.588  0.000  0.750  1.0
  O  O17  1  0.412  0.500  0.250  1.0
  O  O18  1  0.412  0.000  0.250  1.0
  O  O19  1  0.588  0.500  0.750  1.0
[/CIF]
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