The material described by CsSb2F7 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded to two equivalent F(1), four equivalent F(2), and six equivalent F(3) atoms to form a mixture of distorted edge and face-sharing CsF12 cuboctahedra. Sb(1) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cs(1) and one Sb(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Sb(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Sb(1) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_CsSb2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.454
_cell_length_b   6.781
_cell_length_c   10.229
_cell_angle_alpha   109.358
_cell_angle_beta   90.297
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.932
_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
  Cs  Cs0  1  0.500  0.000  0.500  1.0
  Cs  Cs1  1  0.000  0.500  0.500  1.0
  Sb  Sb2  1  0.969  0.152  0.838  1.0
  Sb  Sb3  1  0.469  0.686  0.838  1.0
  Sb  Sb4  1  0.531  0.314  0.162  1.0
  Sb  Sb5  1  0.031  0.848  0.162  1.0
  F  F6  1  0.839  0.463  0.159  1.0
  F  F7  1  0.704  0.151  0.262  1.0
  F  F8  1  0.498  0.510  0.355  1.0
  F  F9  1  0.339  0.696  0.159  1.0
  F  F10  1  0.998  0.844  0.355  1.0
  F  F11  1  0.296  0.849  0.738  1.0
  F  F12  1  0.161  0.537  0.841  1.0
  F  F13  1  0.502  0.490  0.645  1.0
  F  F14  1  0.750  0.078  0.000  1.0
  F  F15  1  0.250  0.922  0.000  1.0
  F  F16  1  0.002  0.156  0.645  1.0
  F  F17  1  0.204  0.111  0.262  1.0
  F  F18  1  0.796  0.889  0.738  1.0
  F  F19  1  0.661  0.304  0.841  1.0
[/CIF]
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The material described by CsSb2F7 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded to two equivalent F(1), four equivalent F(2), and six equivalent F(3) atoms to form a mixture of distorted edge and face-sharing CsF12 cuboctahedra. Sb(1) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cs(1) and one Sb(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Sb(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Sb(1) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_CsSb2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.454
_cell_length_b   6.781
_cell_length_c   10.229
_cell_angle_alpha   109.358
_cell_angle_beta   90.297
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.932
_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
  Cs  Cs0  1  0.500  0.000  0.500  1.0
  Cs  Cs1  1  0.000  0.500  0.500  1.0
  Sb  Sb2  1  0.969  0.152  0.838  1.0
  Sb  Sb3  1  0.469  0.686  0.838  1.0
  Sb  Sb4  1  0.531  0.314  0.162  1.0
  Sb  Sb5  1  0.031  0.848  0.162  1.0
  F  F6  1  0.839  0.463  0.159  1.0
  F  F7  1  0.704  0.151  0.262  1.0
  F  F8  1  0.498  0.510  0.355  1.0
  F  F9  1  0.339  0.696  0.159  1.0
  F  F10  1  0.998  0.844  0.355  1.0
  F  F11  1  0.296  0.849  0.738  1.0
  F  F12  1  0.161  0.537  0.841  1.0
  F  F13  1  0.502  0.490  0.645  1.0
  F  F14  1  0.750  0.078  0.000  1.0
  F  F15  1  0.250  0.922  0.000  1.0
  F  F16  1  0.002  0.156  0.645  1.0
  F  F17  1  0.204  0.111  0.262  1.0
  F  F18  1  0.796  0.889  0.738  1.0
  F  F19  1  0.661  0.304  0.841  1.0
[/CIF]
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