The crystal structure described by V2F7 crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(2), two equivalent F(5), and two equivalent F(7) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. In the second V site, V(2) is bonded to two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. In the third V site, V(3) is bonded to two equivalent F(1), two equivalent F(6), and two equivalent F(7) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the fourth V site, V(4) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one V(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.367
_cell_length_b   7.247
_cell_length_c   7.252
_cell_angle_alpha   60.403
_cell_angle_beta   63.932
_cell_angle_gamma   63.908
_symmetry_Int_Tables_number   1
_cell_volume   250.507
_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  0.500  0.500  0.000  1.0
  V  V1  1  0.500  0.000  0.500  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.000  0.500  0.500  1.0
  F  F4  1  0.804  0.968  0.961  1.0
  F  F5  1  0.831  0.436  0.808  1.0
  F  F6  1  0.828  0.810  0.441  1.0
  F  F7  1  0.766  0.465  0.466  1.0
  F  F8  1  0.400  0.747  0.753  1.0
  F  F9  1  0.426  0.939  0.309  1.0
  F  F10  1  0.421  0.309  0.939  1.0
  F  F11  1  0.579  0.691  0.061  1.0
  F  F12  1  0.574  0.061  0.691  1.0
  F  F13  1  0.600  0.253  0.247  1.0
  F  F14  1  0.234  0.535  0.534  1.0
  F  F15  1  0.172  0.190  0.559  1.0
  F  F16  1  0.169  0.564  0.192  1.0
  F  F17  1  0.196  0.032  0.039  1.0
[/CIF]
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The crystal structure described by V2F7 crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(2), two equivalent F(5), and two equivalent F(7) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. In the second V site, V(2) is bonded to two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. In the third V site, V(3) is bonded to two equivalent F(1), two equivalent F(6), and two equivalent F(7) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the fourth V site, V(4) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one V(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.367
_cell_length_b   7.247
_cell_length_c   7.252
_cell_angle_alpha   60.403
_cell_angle_beta   63.932
_cell_angle_gamma   63.908
_symmetry_Int_Tables_number   1
_cell_volume   250.507
_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  0.500  0.500  0.000  1.0
  V  V1  1  0.500  0.000  0.500  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.000  0.500  0.500  1.0
  F  F4  1  0.804  0.968  0.961  1.0
  F  F5  1  0.831  0.436  0.808  1.0
  F  F6  1  0.828  0.810  0.441  1.0
  F  F7  1  0.766  0.465  0.466  1.0
  F  F8  1  0.400  0.747  0.753  1.0
  F  F9  1  0.426  0.939  0.309  1.0
  F  F10  1  0.421  0.309  0.939  1.0
  F  F11  1  0.579  0.691  0.061  1.0
  F  F12  1  0.574  0.061  0.691  1.0
  F  F13  1  0.600  0.253  0.247  1.0
  F  F14  1  0.234  0.535  0.534  1.0
  F  F15  1  0.172  0.190  0.559  1.0
  F  F16  1  0.169  0.564  0.192  1.0
  F  F17  1  0.196  0.032  0.039  1.0
[/CIF]
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