The material structure described by VZnF5 crystallizes in the monoclinic C2/c space group. V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra and corners with six equivalent Zn(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 42°. Zn(1) is bonded to one F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted ZnF5 trigonal bipyramids that share corners with six equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 6-69°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one Zn(1) atom. In the second F site, F(2) is bonded in a linear geometry to one V(1) and one Zn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VZnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.359
_cell_length_b   5.359
_cell_length_c   7.632
_cell_angle_alpha   68.831
_cell_angle_beta   68.831
_cell_angle_gamma   71.759
_symmetry_Int_Tables_number   1
_cell_volume   186.359
_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
  V  V0  1  0.000  0.000  0.000  1.0
  V  V1  1  0.000  0.000  0.500  1.0
  Zn  Zn2  1  0.525  0.475  0.750  1.0
  Zn  Zn3  1  0.475  0.525  0.250  1.0
  F  F4  1  0.116  0.884  0.250  1.0
  F  F5  1  0.884  0.116  0.750  1.0
  F  F6  1  0.220  0.278  0.372  1.0
  F  F7  1  0.722  0.780  0.128  1.0
  F  F8  1  0.709  0.321  0.046  1.0
  F  F9  1  0.679  0.291  0.454  1.0
  F  F10  1  0.291  0.679  0.954  1.0
  F  F11  1  0.321  0.709  0.546  1.0
  F  F12  1  0.278  0.220  0.872  1.0
  F  F13  1  0.780  0.722  0.628  1.0
[/CIF]
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The material structure described by VZnF5 crystallizes in the monoclinic C2/c space group. V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra and corners with six equivalent Zn(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 42°. Zn(1) is bonded to one F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted ZnF5 trigonal bipyramids that share corners with six equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 6-69°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one Zn(1) atom. In the second F site, F(2) is bonded in a linear geometry to one V(1) and one Zn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VZnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.359
_cell_length_b   5.359
_cell_length_c   7.632
_cell_angle_alpha   68.831
_cell_angle_beta   68.831
_cell_angle_gamma   71.759
_symmetry_Int_Tables_number   1
_cell_volume   186.359
_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
  V  V0  1  0.000  0.000  0.000  1.0
  V  V1  1  0.000  0.000  0.500  1.0
  Zn  Zn2  1  0.525  0.475  0.750  1.0
  Zn  Zn3  1  0.475  0.525  0.250  1.0
  F  F4  1  0.116  0.884  0.250  1.0
  F  F5  1  0.884  0.116  0.750  1.0
  F  F6  1  0.220  0.278  0.372  1.0
  F  F7  1  0.722  0.780  0.128  1.0
  F  F8  1  0.709  0.321  0.046  1.0
  F  F9  1  0.679  0.291  0.454  1.0
  F  F10  1  0.291  0.679  0.954  1.0
  F  F11  1  0.321  0.709  0.546  1.0
  F  F12  1  0.278  0.220  0.872  1.0
  F  F13  1  0.780  0.722  0.628  1.0
[/CIF]
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