The structure described by KVOF3 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to two equivalent O(1), one F(2), two equivalent F(3), and four equivalent F(4) atoms. V(1) is bonded to one O(1), one F(1), one F(2), one F(4), and two equivalent F(3) atoms to form a mixture of distorted edge and corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 27-41°. O(1) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one V(1) atom. There are four inequivalent F sites. In the first F site, F(4) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), and one V(1) atom. In the second F site, F(1) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent V(1) atoms. In the third F site, F(2) is bonded in a 2-coordinate geometry to one K(1), one K(2), and two equivalent V(1) atoms. In the fourth F site, F(3) is bonded to one K(1), one K(2), and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing FK2V2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.363
_cell_length_b   7.700
_cell_length_c   7.935
_cell_angle_alpha   60.971
_cell_angle_beta   102.889
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   380.331
_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  0.768  0.892  0.215  1.0
  K  K1  1  0.232  0.108  0.785  1.0
  K  K2  1  0.148  0.642  0.716  1.0
  K  K3  1  0.852  0.358  0.284  1.0
  V  V4  1  0.318  0.108  0.291  1.0
  V  V5  1  0.682  0.892  0.709  1.0
  V  V6  1  0.318  0.600  0.292  1.0
  V  V7  1  0.682  0.400  0.708  1.0
  O  O8  1  0.281  0.687  0.051  1.0
  O  O9  1  0.281  0.262  0.051  1.0
  O  O10  1  0.719  0.313  0.949  1.0
  O  O11  1  0.719  0.738  0.949  1.0
  F  F12  1  0.377  0.860  0.280  1.0
  F  F13  1  0.623  0.140  0.720  1.0
  F  F14  1  0.273  0.314  0.371  1.0
  F  F15  1  0.727  0.686  0.629  1.0
  F  F16  1  0.596  0.524  0.382  1.0
  F  F17  1  0.596  0.094  0.382  1.0
  F  F18  1  0.404  0.476  0.618  1.0
  F  F19  1  0.404  0.906  0.618  1.0
  F  F20  1  0.077  0.634  0.330  1.0
  F  F21  1  0.077  0.036  0.330  1.0
  F  F22  1  0.923  0.366  0.670  1.0
  F  F23  1  0.923  0.964  0.670  1.0
[/CIF]
.
The structure described by KVOF3 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to two equivalent O(1), one F(2), two equivalent F(3), and four equivalent F(4) atoms. V(1) is bonded to one O(1), one F(1), one F(2), one F(4), and two equivalent F(3) atoms to form a mixture of distorted edge and corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 27-41°. O(1) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one V(1) atom. There are four inequivalent F sites. In the first F site, F(4) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), and one V(1) atom. In the second F site, F(1) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent V(1) atoms. In the third F site, F(2) is bonded in a 2-coordinate geometry to one K(1), one K(2), and two equivalent V(1) atoms. In the fourth F site, F(3) is bonded to one K(1), one K(2), and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing FK2V2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.363
_cell_length_b   7.700
_cell_length_c   7.935
_cell_angle_alpha   60.971
_cell_angle_beta   102.889
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   380.331
_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  0.768  0.892  0.215  1.0
  K  K1  1  0.232  0.108  0.785  1.0
  K  K2  1  0.148  0.642  0.716  1.0
  K  K3  1  0.852  0.358  0.284  1.0
  V  V4  1  0.318  0.108  0.291  1.0
  V  V5  1  0.682  0.892  0.709  1.0
  V  V6  1  0.318  0.600  0.292  1.0
  V  V7  1  0.682  0.400  0.708  1.0
  O  O8  1  0.281  0.687  0.051  1.0
  O  O9  1  0.281  0.262  0.051  1.0
  O  O10  1  0.719  0.313  0.949  1.0
  O  O11  1  0.719  0.738  0.949  1.0
  F  F12  1  0.377  0.860  0.280  1.0
  F  F13  1  0.623  0.140  0.720  1.0
  F  F14  1  0.273  0.314  0.371  1.0
  F  F15  1  0.727  0.686  0.629  1.0
  F  F16  1  0.596  0.524  0.382  1.0
  F  F17  1  0.596  0.094  0.382  1.0
  F  F18  1  0.404  0.476  0.618  1.0
  F  F19  1  0.404  0.906  0.618  1.0
  F  F20  1  0.077  0.634  0.330  1.0
  F  F21  1  0.077  0.036  0.330  1.0
  F  F22  1  0.923  0.366  0.670  1.0
  F  F23  1  0.923  0.964  0.670  1.0
[/CIF]
.