The material described by CsHIF7 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 11-coordinate geometry to one H(1), one F(3), one F(6), one F(7), two equivalent F(4), two equivalent F(5), and three equivalent F(1) atoms. H(1) is bonded in a linear geometry to one Cs(1), one F(1), and one F(2) atom. I(1) is bonded in a 7-coordinate geometry to one F(3), one F(4), one F(5), one F(6), one F(7), and two equivalent F(2) atoms. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one H(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one H(1) and two equivalent I(1) atoms. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Cs(1) and one I(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one I(1) atom. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one I(1) atom. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to one Cs(1) and one I(1) atom. In the seventh F site, F(7) is bonded in a distorted single-bond geometry to one Cs(1) and one I(1) atom. is represented by the CIF card [CIF]
data_CsHIF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.423
_cell_length_b   8.308
_cell_length_c   8.636
_cell_angle_alpha   109.391
_cell_angle_beta   107.534
_cell_angle_gamma   91.859
_symmetry_Int_Tables_number   1
_cell_volume   346.172
_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  0.847  0.167  0.770  1.0
  Cs  Cs1  1  0.153  0.833  0.230  1.0
  H  H2  1  0.817  0.778  0.443  1.0
  H  H3  1  0.183  0.222  0.557  1.0
  I  I4  1  0.694  0.349  0.261  1.0
  I  I5  1  0.306  0.651  0.739  1.0
  F  F6  1  0.730  0.876  0.413  1.0
  F  F7  1  0.270  0.124  0.587  1.0
  F  F8  1  0.947  0.648  0.470  1.0
  F  F9  1  0.053  0.352  0.530  1.0
  F  F10  1  0.525  0.191  0.335  1.0
  F  F11  1  0.475  0.809  0.665  1.0
  F  F12  1  0.886  0.166  0.164  1.0
  F  F13  1  0.114  0.834  0.836  1.0
  F  F14  1  0.776  0.461  0.110  1.0
  F  F15  1  0.224  0.539  0.890  1.0
  F  F16  1  0.409  0.486  0.282  1.0
  F  F17  1  0.591  0.514  0.718  1.0
  F  F18  1  0.432  0.220  0.045  1.0
  F  F19  1  0.568  0.780  0.955  1.0
[/CIF]
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The material described by CsHIF7 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 11-coordinate geometry to one H(1), one F(3), one F(6), one F(7), two equivalent F(4), two equivalent F(5), and three equivalent F(1) atoms. H(1) is bonded in a linear geometry to one Cs(1), one F(1), and one F(2) atom. I(1) is bonded in a 7-coordinate geometry to one F(3), one F(4), one F(5), one F(6), one F(7), and two equivalent F(2) atoms. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one H(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one H(1) and two equivalent I(1) atoms. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Cs(1) and one I(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one I(1) atom. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one I(1) atom. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to one Cs(1) and one I(1) atom. In the seventh F site, F(7) is bonded in a distorted single-bond geometry to one Cs(1) and one I(1) atom. is represented by the CIF card [CIF]
data_CsHIF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.423
_cell_length_b   8.308
_cell_length_c   8.636
_cell_angle_alpha   109.391
_cell_angle_beta   107.534
_cell_angle_gamma   91.859
_symmetry_Int_Tables_number   1
_cell_volume   346.172
_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  0.847  0.167  0.770  1.0
  Cs  Cs1  1  0.153  0.833  0.230  1.0
  H  H2  1  0.817  0.778  0.443  1.0
  H  H3  1  0.183  0.222  0.557  1.0
  I  I4  1  0.694  0.349  0.261  1.0
  I  I5  1  0.306  0.651  0.739  1.0
  F  F6  1  0.730  0.876  0.413  1.0
  F  F7  1  0.270  0.124  0.587  1.0
  F  F8  1  0.947  0.648  0.470  1.0
  F  F9  1  0.053  0.352  0.530  1.0
  F  F10  1  0.525  0.191  0.335  1.0
  F  F11  1  0.475  0.809  0.665  1.0
  F  F12  1  0.886  0.166  0.164  1.0
  F  F13  1  0.114  0.834  0.836  1.0
  F  F14  1  0.776  0.461  0.110  1.0
  F  F15  1  0.224  0.539  0.890  1.0
  F  F16  1  0.409  0.486  0.282  1.0
  F  F17  1  0.591  0.514  0.718  1.0
  F  F18  1  0.432  0.220  0.045  1.0
  F  F19  1  0.568  0.780  0.955  1.0
[/CIF]
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