The material described by V4O5F7 crystallizes in the triclinic P1 space group. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one F(1), one F(11), one F(5), and one F(6) atom to form VO2F4 octahedra that share corners with three equivalent V(7)O2F4 octahedra and corners with three equivalent V(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 19-35°. In the second V site, V(2) is bonded to one O(2), one O(5), one F(12), one F(3), one F(7), and one F(9) atom to form distorted VO2F4 octahedra that share corners with three equivalent V(8)O2F4 octahedra and corners with three equivalent V(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 19-38°. In the third V site, V(3) is bonded to one O(3), one O(4), one O(6), one F(11), one F(2), and one F(6) atom to form distorted VO3F3 octahedra that share corners with three equivalent V(1)O2F4 octahedra and corners with three equivalent V(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 19-33°. In the fourth V site, V(4) is bonded to one O(5), one O(7), one O(9), one F(12), one F(4), and one F(7) atom to form distorted VO3F3 octahedra that share corners with three equivalent V(2)O2F4 octahedra and corners with three equivalent V(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 19-35°. In the fifth V site, V(5) is bonded to one O(10), one O(4), one O(6), one F(10), one F(2), and one F(8) atom to form VO3F3 octahedra that share corners with three equivalent V(8)O2F4 octahedra and corners with three equivalent V(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 24-38°. In the sixth V site, V(6) is bonded to one O(7), one O(8), one O(9), one F(13), one F(14), and one F(4) atom to form VO3F3 octahedra that share corners with three equivalent V(7)O2F4 octahedra and corners with three equivalent V(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 21-35°. In the seventh V site, V(7) is bonded to one O(1), one O(8), one F(1), one F(13), one F(14), and one F(5) atom to form VO2F4 octahedra that share corners with three equivalent V(1)O2F4 octahedra and corners with three equivalent V(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 21-35°. In the eighth V site, V(8) is bonded to one O(10), one O(2), one F(10), one F(3), one F(8), and one F(9) atom to form VO2F4 octahedra that share corners with three equivalent V(2)O2F4 octahedra and corners with three equivalent V(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 24-38°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. is represented by the CIF file [CIF]
data_V4O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.269
_cell_length_b   5.354
_cell_length_c   17.330
_cell_angle_alpha   83.578
_cell_angle_beta   81.672
_cell_angle_gamma   60.733
_symmetry_Int_Tables_number   1
_cell_volume   421.537
_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  0.359  0.396  0.880  1.0
  V  V1  1  0.861  0.909  0.380  1.0
  V  V2  1  0.703  0.790  0.748  1.0
  V  V3  1  0.206  0.294  0.248  1.0
  V  V4  1  0.126  0.148  0.631  1.0
  V  V5  1  0.631  0.654  0.131  1.0
  V  V6  1  0.983  0.981  0.003  1.0
  V  V7  1  0.478  0.528  0.505  1.0
  O  O8  1  0.267  0.679  0.933  1.0
  O  O9  1  0.764  0.185  0.435  1.0
  O  O10  1  0.496  0.053  0.810  1.0
  O  O11  1  0.017  0.426  0.687  1.0
  O  O12  1  1.000  0.556  0.309  1.0
  O  O13  1  0.508  0.907  0.670  1.0
  O  O14  1  0.014  0.405  0.169  1.0
  O  O15  1  0.805  0.800  0.042  1.0
  O  O16  1  0.522  0.925  0.189  1.0
  O  O17  1  0.246  0.804  0.561  1.0
  F  F18  1  0.757  0.164  0.913  1.0
  F  F19  1  0.970  0.936  0.710  1.0
  F  F20  1  0.262  0.668  0.412  1.0
  F  F21  1  0.474  0.436  0.209  1.0
  F  F22  1  0.214  0.192  0.958  1.0
  F  F23  1  0.994  0.565  0.831  1.0
  F  F24  1  0.499  0.069  0.332  1.0
  F  F25  1  0.291  0.286  0.538  1.0
  F  F26  1  0.733  0.692  0.460  1.0
  F  F27  1  0.753  0.310  0.584  1.0
  F  F28  1  0.541  0.538  0.788  1.0
  F  F29  1  0.043  0.042  0.288  1.0
  F  F30  1  0.731  0.329  0.061  1.0
  F  F31  1  0.254  0.834  0.083  1.0
[/CIF]
.
The material described by V4O5F7 crystallizes in the triclinic P1 space group. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one F(1), one F(11), one F(5), and one F(6) atom to form VO2F4 octahedra that share corners with three equivalent V(7)O2F4 octahedra and corners with three equivalent V(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 19-35°. In the second V site, V(2) is bonded to one O(2), one O(5), one F(12), one F(3), one F(7), and one F(9) atom to form distorted VO2F4 octahedra that share corners with three equivalent V(8)O2F4 octahedra and corners with three equivalent V(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 19-38°. In the third V site, V(3) is bonded to one O(3), one O(4), one O(6), one F(11), one F(2), and one F(6) atom to form distorted VO3F3 octahedra that share corners with three equivalent V(1)O2F4 octahedra and corners with three equivalent V(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 19-33°. In the fourth V site, V(4) is bonded to one O(5), one O(7), one O(9), one F(12), one F(4), and one F(7) atom to form distorted VO3F3 octahedra that share corners with three equivalent V(2)O2F4 octahedra and corners with three equivalent V(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 19-35°. In the fifth V site, V(5) is bonded to one O(10), one O(4), one O(6), one F(10), one F(2), and one F(8) atom to form VO3F3 octahedra that share corners with three equivalent V(8)O2F4 octahedra and corners with three equivalent V(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 24-38°. In the sixth V site, V(6) is bonded to one O(7), one O(8), one O(9), one F(13), one F(14), and one F(4) atom to form VO3F3 octahedra that share corners with three equivalent V(7)O2F4 octahedra and corners with three equivalent V(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 21-35°. In the seventh V site, V(7) is bonded to one O(1), one O(8), one F(1), one F(13), one F(14), and one F(5) atom to form VO2F4 octahedra that share corners with three equivalent V(1)O2F4 octahedra and corners with three equivalent V(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 21-35°. In the eighth V site, V(8) is bonded to one O(10), one O(2), one F(10), one F(3), one F(8), and one F(9) atom to form VO2F4 octahedra that share corners with three equivalent V(2)O2F4 octahedra and corners with three equivalent V(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 24-38°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. is represented by the CIF file [CIF]
data_V4O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.269
_cell_length_b   5.354
_cell_length_c   17.330
_cell_angle_alpha   83.578
_cell_angle_beta   81.672
_cell_angle_gamma   60.733
_symmetry_Int_Tables_number   1
_cell_volume   421.537
_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  0.359  0.396  0.880  1.0
  V  V1  1  0.861  0.909  0.380  1.0
  V  V2  1  0.703  0.790  0.748  1.0
  V  V3  1  0.206  0.294  0.248  1.0
  V  V4  1  0.126  0.148  0.631  1.0
  V  V5  1  0.631  0.654  0.131  1.0
  V  V6  1  0.983  0.981  0.003  1.0
  V  V7  1  0.478  0.528  0.505  1.0
  O  O8  1  0.267  0.679  0.933  1.0
  O  O9  1  0.764  0.185  0.435  1.0
  O  O10  1  0.496  0.053  0.810  1.0
  O  O11  1  0.017  0.426  0.687  1.0
  O  O12  1  1.000  0.556  0.309  1.0
  O  O13  1  0.508  0.907  0.670  1.0
  O  O14  1  0.014  0.405  0.169  1.0
  O  O15  1  0.805  0.800  0.042  1.0
  O  O16  1  0.522  0.925  0.189  1.0
  O  O17  1  0.246  0.804  0.561  1.0
  F  F18  1  0.757  0.164  0.913  1.0
  F  F19  1  0.970  0.936  0.710  1.0
  F  F20  1  0.262  0.668  0.412  1.0
  F  F21  1  0.474  0.436  0.209  1.0
  F  F22  1  0.214  0.192  0.958  1.0
  F  F23  1  0.994  0.565  0.831  1.0
  F  F24  1  0.499  0.069  0.332  1.0
  F  F25  1  0.291  0.286  0.538  1.0
  F  F26  1  0.733  0.692  0.460  1.0
  F  F27  1  0.753  0.310  0.584  1.0
  F  F28  1  0.541  0.538  0.788  1.0
  F  F29  1  0.043  0.042  0.288  1.0
  F  F30  1  0.731  0.329  0.061  1.0
  F  F31  1  0.254  0.834  0.083  1.0
[/CIF]
.