The compound described by KZrVF7 crystallizes in the orthorhombic Pnna space group. K(1) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(4), and four equivalent F(3) atoms. Zr(1) is bonded to one F(2), two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form ZrF7 pentagonal bipyramids that share corners with four equivalent V(1)F6 octahedra and  an edgeedge with one V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 31-42°. V(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form VF6 octahedra that share corners with four equivalent Zr(1)F7 pentagonal bipyramids and  an edgeedge with one Zr(1)F7 pentagonal bipyramid. There are four inequivalent F sites. In the first F site, F(4) is bonded in a distorted bent 150 degrees geometry to one K(1), one Zr(1), 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), one Zr(1), and one V(1) atom. In the third F site, F(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Zr(1) atom. In the fourth F site, F(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Zr(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KZrVF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.615
_cell_length_b   8.076
_cell_length_c   11.350
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   606.344
_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  0.263  0.000  0.250  1.0
  K  K1  1  0.737  0.000  0.750  1.0
  K  K2  1  0.237  0.500  0.250  1.0
  K  K3  1  0.763  0.500  0.750  1.0
  Zr  Zr4  1  0.750  0.750  0.407  1.0
  Zr  Zr5  1  0.250  0.250  0.593  1.0
  Zr  Zr6  1  0.250  0.750  0.907  1.0
  Zr  Zr7  1  0.750  0.250  0.093  1.0
  V  V8  1  0.750  0.250  0.402  1.0
  V  V9  1  0.250  0.250  0.902  1.0
  V  V10  1  0.250  0.750  0.598  1.0
  V  V11  1  0.750  0.750  0.098  1.0
  F  F12  1  0.051  0.194  0.043  1.0
  F  F13  1  0.051  0.806  0.457  1.0
  F  F14  1  0.449  0.694  0.457  1.0
  F  F15  1  0.449  0.306  0.043  1.0
  F  F16  1  0.949  0.806  0.957  1.0
  F  F17  1  0.949  0.194  0.543  1.0
  F  F18  1  0.551  0.306  0.543  1.0
  F  F19  1  0.551  0.694  0.957  1.0
  F  F20  1  0.250  0.750  0.086  1.0
  F  F21  1  0.250  0.250  0.414  1.0
  F  F22  1  0.750  0.250  0.914  1.0
  F  F23  1  0.750  0.750  0.586  1.0
  F  F24  1  0.931  0.788  0.250  1.0
  F  F25  1  0.931  0.212  0.250  1.0
  F  F26  1  0.569  0.288  0.250  1.0
  F  F27  1  0.569  0.712  0.250  1.0
  F  F28  1  0.069  0.212  0.750  1.0
  F  F29  1  0.069  0.788  0.750  1.0
  F  F30  1  0.431  0.712  0.750  1.0
  F  F31  1  0.431  0.288  0.750  1.0
  F  F32  1  0.668  0.004  0.102  1.0
  F  F33  1  0.668  0.996  0.398  1.0
  F  F34  1  0.832  0.504  0.398  1.0
  F  F35  1  0.832  0.496  0.102  1.0
  F  F36  1  0.332  0.996  0.898  1.0
  F  F37  1  0.332  0.004  0.602  1.0
  F  F38  1  0.168  0.496  0.602  1.0
  F  F39  1  0.168  0.504  0.898  1.0
[/CIF]
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The compound described by KZrVF7 crystallizes in the orthorhombic Pnna space group. K(1) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(4), and four equivalent F(3) atoms. Zr(1) is bonded to one F(2), two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form ZrF7 pentagonal bipyramids that share corners with four equivalent V(1)F6 octahedra and  an edgeedge with one V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 31-42°. V(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form VF6 octahedra that share corners with four equivalent Zr(1)F7 pentagonal bipyramids and  an edgeedge with one Zr(1)F7 pentagonal bipyramid. There are four inequivalent F sites. In the first F site, F(4) is bonded in a distorted bent 150 degrees geometry to one K(1), one Zr(1), 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), one Zr(1), and one V(1) atom. In the third F site, F(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Zr(1) atom. In the fourth F site, F(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Zr(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KZrVF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.615
_cell_length_b   8.076
_cell_length_c   11.350
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   606.344
_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  0.263  0.000  0.250  1.0
  K  K1  1  0.737  0.000  0.750  1.0
  K  K2  1  0.237  0.500  0.250  1.0
  K  K3  1  0.763  0.500  0.750  1.0
  Zr  Zr4  1  0.750  0.750  0.407  1.0
  Zr  Zr5  1  0.250  0.250  0.593  1.0
  Zr  Zr6  1  0.250  0.750  0.907  1.0
  Zr  Zr7  1  0.750  0.250  0.093  1.0
  V  V8  1  0.750  0.250  0.402  1.0
  V  V9  1  0.250  0.250  0.902  1.0
  V  V10  1  0.250  0.750  0.598  1.0
  V  V11  1  0.750  0.750  0.098  1.0
  F  F12  1  0.051  0.194  0.043  1.0
  F  F13  1  0.051  0.806  0.457  1.0
  F  F14  1  0.449  0.694  0.457  1.0
  F  F15  1  0.449  0.306  0.043  1.0
  F  F16  1  0.949  0.806  0.957  1.0
  F  F17  1  0.949  0.194  0.543  1.0
  F  F18  1  0.551  0.306  0.543  1.0
  F  F19  1  0.551  0.694  0.957  1.0
  F  F20  1  0.250  0.750  0.086  1.0
  F  F21  1  0.250  0.250  0.414  1.0
  F  F22  1  0.750  0.250  0.914  1.0
  F  F23  1  0.750  0.750  0.586  1.0
  F  F24  1  0.931  0.788  0.250  1.0
  F  F25  1  0.931  0.212  0.250  1.0
  F  F26  1  0.569  0.288  0.250  1.0
  F  F27  1  0.569  0.712  0.250  1.0
  F  F28  1  0.069  0.212  0.750  1.0
  F  F29  1  0.069  0.788  0.750  1.0
  F  F30  1  0.431  0.712  0.750  1.0
  F  F31  1  0.431  0.288  0.750  1.0
  F  F32  1  0.668  0.004  0.102  1.0
  F  F33  1  0.668  0.996  0.398  1.0
  F  F34  1  0.832  0.504  0.398  1.0
  F  F35  1  0.832  0.496  0.102  1.0
  F  F36  1  0.332  0.996  0.898  1.0
  F  F37  1  0.332  0.004  0.602  1.0
  F  F38  1  0.168  0.496  0.602  1.0
  F  F39  1  0.168  0.504  0.898  1.0
[/CIF]
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