The compound described by Sn2OF5 crystallizes in the monoclinic C2/m space group. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a body-centered cubic geometry to two equivalent F(1), two equivalent F(3), and four equivalent F(4) atoms. In the second Sn site, Sn(2) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing SnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-51°. In the third Sn site, Sn(3) is bonded to two equivalent O(1), one F(1), one F(2), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing SnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-51°. O(1) is bonded in a trigonal planar geometry to one Sn(2) and two equivalent Sn(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to one Sn(1) and one Sn(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Sn(2) and one Sn(3) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Sn(1) and one Sn(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Sn(1) and one Sn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   5.683
_cell_length_c   8.212
_cell_angle_alpha   98.825
_cell_angle_beta   109.047
_cell_angle_gamma   107.864
_symmetry_Int_Tables_number   1
_cell_volume   228.957
_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
  Sn  Sn0  1  0.500  0.500  0.000  1.0
  Sn  Sn1  1  0.000  0.500  0.500  1.0
  Sn  Sn2  1  0.296  0.028  0.323  1.0
  Sn  Sn3  1  0.704  0.972  0.677  1.0
  O  O4  1  0.695  0.195  0.500  1.0
  O  O5  1  0.305  0.805  0.500  1.0
  F  F6  1  0.349  0.798  0.147  1.0
  F  F7  1  0.651  0.202  0.853  1.0
  F  F8  1  0.775  0.723  0.498  1.0
  F  F9  1  0.225  0.277  0.502  1.0
  F  F10  1  0.158  0.605  0.762  1.0
  F  F11  1  0.842  0.395  0.238  1.0
  F  F12  1  0.678  0.704  0.801  1.0
  F  F13  1  0.903  0.877  0.199  1.0
  F  F14  1  0.322  0.296  0.199  1.0
  F  F15  1  0.097  0.123  0.801  1.0
[/CIF]
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The compound described by Sn2OF5 crystallizes in the monoclinic C2/m space group. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a body-centered cubic geometry to two equivalent F(1), two equivalent F(3), and four equivalent F(4) atoms. In the second Sn site, Sn(2) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing SnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-51°. In the third Sn site, Sn(3) is bonded to two equivalent O(1), one F(1), one F(2), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing SnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-51°. O(1) is bonded in a trigonal planar geometry to one Sn(2) and two equivalent Sn(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to one Sn(1) and one Sn(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Sn(2) and one Sn(3) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Sn(1) and one Sn(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Sn(1) and one Sn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   5.683
_cell_length_c   8.212
_cell_angle_alpha   98.825
_cell_angle_beta   109.047
_cell_angle_gamma   107.864
_symmetry_Int_Tables_number   1
_cell_volume   228.957
_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
  Sn  Sn0  1  0.500  0.500  0.000  1.0
  Sn  Sn1  1  0.000  0.500  0.500  1.0
  Sn  Sn2  1  0.296  0.028  0.323  1.0
  Sn  Sn3  1  0.704  0.972  0.677  1.0
  O  O4  1  0.695  0.195  0.500  1.0
  O  O5  1  0.305  0.805  0.500  1.0
  F  F6  1  0.349  0.798  0.147  1.0
  F  F7  1  0.651  0.202  0.853  1.0
  F  F8  1  0.775  0.723  0.498  1.0
  F  F9  1  0.225  0.277  0.502  1.0
  F  F10  1  0.158  0.605  0.762  1.0
  F  F11  1  0.842  0.395  0.238  1.0
  F  F12  1  0.678  0.704  0.801  1.0
  F  F13  1  0.903  0.877  0.199  1.0
  F  F14  1  0.322  0.296  0.199  1.0
  F  F15  1  0.097  0.123  0.801  1.0
[/CIF]
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