The crystal structure described by Nb2F5 crystallizes in the cubic Im-3m space group. The structure consists of a Nb2F5 framework. Nb(1) is bonded to one F(1) and four equivalent F(2) atoms to form corner-sharing NbF5 square pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the second F site, F(2) is bonded in an L-shaped geometry to two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_Nb2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.142
_cell_length_b   7.142
_cell_length_c   7.142
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   280.386
_cell_formula_units_Z   3
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
  Nb  Nb0  1  0.759  0.759  0.000  1.0
  Nb  Nb1  1  0.241  0.000  0.241  1.0
  Nb  Nb2  1  0.759  0.000  0.759  1.0
  Nb  Nb3  1  0.000  0.759  0.759  1.0
  Nb  Nb4  1  0.000  0.241  0.241  1.0
  Nb  Nb5  1  0.241  0.241  0.000  1.0
  F  F6  1  0.500  0.000  0.500  1.0
  F  F7  1  0.000  0.500  0.500  1.0
  F  F8  1  0.500  0.500  0.000  1.0
  F  F9  1  0.495  0.747  0.747  1.0
  F  F10  1  0.747  0.495  0.747  1.0
  F  F11  1  0.747  0.253  0.000  1.0
  F  F12  1  0.505  0.253  0.253  1.0
  F  F13  1  0.253  0.000  0.747  1.0
  F  F14  1  0.253  0.505  0.253  1.0
  F  F15  1  0.253  0.253  0.505  1.0
  F  F16  1  0.253  0.747  0.000  1.0
  F  F17  1  0.000  0.253  0.747  1.0
  F  F18  1  0.000  0.747  0.253  1.0
  F  F19  1  0.747  0.747  0.495  1.0
  F  F20  1  0.747  0.000  0.253  1.0
[/CIF]
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The crystal structure described by Nb2F5 crystallizes in the cubic Im-3m space group. The structure consists of a Nb2F5 framework. Nb(1) is bonded to one F(1) and four equivalent F(2) atoms to form corner-sharing NbF5 square pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the second F site, F(2) is bonded in an L-shaped geometry to two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_Nb2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.142
_cell_length_b   7.142
_cell_length_c   7.142
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   280.386
_cell_formula_units_Z   3
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
  Nb  Nb0  1  0.759  0.759  0.000  1.0
  Nb  Nb1  1  0.241  0.000  0.241  1.0
  Nb  Nb2  1  0.759  0.000  0.759  1.0
  Nb  Nb3  1  0.000  0.759  0.759  1.0
  Nb  Nb4  1  0.000  0.241  0.241  1.0
  Nb  Nb5  1  0.241  0.241  0.000  1.0
  F  F6  1  0.500  0.000  0.500  1.0
  F  F7  1  0.000  0.500  0.500  1.0
  F  F8  1  0.500  0.500  0.000  1.0
  F  F9  1  0.495  0.747  0.747  1.0
  F  F10  1  0.747  0.495  0.747  1.0
  F  F11  1  0.747  0.253  0.000  1.0
  F  F12  1  0.505  0.253  0.253  1.0
  F  F13  1  0.253  0.000  0.747  1.0
  F  F14  1  0.253  0.505  0.253  1.0
  F  F15  1  0.253  0.253  0.505  1.0
  F  F16  1  0.253  0.747  0.000  1.0
  F  F17  1  0.000  0.253  0.747  1.0
  F  F18  1  0.000  0.747  0.253  1.0
  F  F19  1  0.747  0.747  0.495  1.0
  F  F20  1  0.747  0.000  0.253  1.0
[/CIF]
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