The crystal structure described by CsSnF3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to three equivalent F(1), three equivalent F(2), and three equivalent F(3) atoms. Sn(1) is bonded in a distorted T-shaped geometry to one F(1), one F(2), and one F(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Sn(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Sn(1) atom. In the third F site, F(3) is bonded to three equivalent Cs(1) and one Sn(1) atom to form a mixture of distorted corner and edge-sharing FCs3Sn tetrahedra. is represented by the CIF card [CIF]
data_CsSnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.669
_cell_length_b   4.961
_cell_length_c   15.330
_cell_angle_alpha   72.223
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   483.023
_cell_formula_units_Z   4
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  0.977  0.120  0.642  1.0
  Cs  Cs1  1  0.523  0.120  0.142  1.0
  Cs  Cs2  1  0.023  0.880  0.358  1.0
  Cs  Cs3  1  0.477  0.880  0.858  1.0
  Sn  Sn4  1  0.025  0.635  0.116  1.0
  Sn  Sn5  1  0.475  0.635  0.616  1.0
  Sn  Sn6  1  0.975  0.365  0.884  1.0
  Sn  Sn7  1  0.525  0.365  0.384  1.0
  F  F8  1  0.184  0.470  0.237  1.0
  F  F9  1  0.316  0.470  0.737  1.0
  F  F10  1  0.816  0.530  0.763  1.0
  F  F11  1  0.684  0.530  0.263  1.0
  F  F12  1  0.050  0.031  0.140  1.0
  F  F13  1  0.450  0.031  0.640  1.0
  F  F14  1  0.950  0.969  0.860  1.0
  F  F15  1  0.550  0.969  0.360  1.0
  F  F16  1  0.304  0.707  0.051  1.0
  F  F17  1  0.196  0.707  0.551  1.0
  F  F18  1  0.696  0.293  0.949  1.0
  F  F19  1  0.804  0.293  0.449  1.0
[/CIF]
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The crystal structure described by CsSnF3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to three equivalent F(1), three equivalent F(2), and three equivalent F(3) atoms. Sn(1) is bonded in a distorted T-shaped geometry to one F(1), one F(2), and one F(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Sn(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Sn(1) atom. In the third F site, F(3) is bonded to three equivalent Cs(1) and one Sn(1) atom to form a mixture of distorted corner and edge-sharing FCs3Sn tetrahedra. is represented by the CIF card [CIF]
data_CsSnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.669
_cell_length_b   4.961
_cell_length_c   15.330
_cell_angle_alpha   72.223
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   483.023
_cell_formula_units_Z   4
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  0.977  0.120  0.642  1.0
  Cs  Cs1  1  0.523  0.120  0.142  1.0
  Cs  Cs2  1  0.023  0.880  0.358  1.0
  Cs  Cs3  1  0.477  0.880  0.858  1.0
  Sn  Sn4  1  0.025  0.635  0.116  1.0
  Sn  Sn5  1  0.475  0.635  0.616  1.0
  Sn  Sn6  1  0.975  0.365  0.884  1.0
  Sn  Sn7  1  0.525  0.365  0.384  1.0
  F  F8  1  0.184  0.470  0.237  1.0
  F  F9  1  0.316  0.470  0.737  1.0
  F  F10  1  0.816  0.530  0.763  1.0
  F  F11  1  0.684  0.530  0.263  1.0
  F  F12  1  0.050  0.031  0.140  1.0
  F  F13  1  0.450  0.031  0.640  1.0
  F  F14  1  0.950  0.969  0.860  1.0
  F  F15  1  0.550  0.969  0.360  1.0
  F  F16  1  0.304  0.707  0.051  1.0
  F  F17  1  0.196  0.707  0.551  1.0
  F  F18  1  0.696  0.293  0.949  1.0
  F  F19  1  0.804  0.293  0.449  1.0
[/CIF]
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