The material described by CsH2F3 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(4), one F(5), one F(6), and two equivalent F(3) atoms. In the second Cs site, Cs(2) is bonded in a 11-coordinate geometry to one H(1), one H(4), one F(1), one F(2), one F(3), two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one Cs(2), one F(2), and one F(5) atom. In the second H site, H(2) is bonded in a linear geometry to one F(1) and one F(3) atom. In the third H site, H(3) is bonded in a linear geometry to one F(2) and one F(4) atom. In the fourth H site, H(4) is bonded in a linear geometry to one Cs(2), one F(1), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(3) is bonded in a single-bond geometry to one Cs(2), two equivalent Cs(1), and one H(2) atom. In the second F site, F(4) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one H(3) atom. In the third F site, F(5) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one H(1) atom. In the fourth F site, F(6) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one H(4) atom. In the fifth F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cs(2), one H(2), and one H(4) atom. In the sixth F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one H(1), and one H(3) atom. is represented by the CIF file [CIF]
data_CsH2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.340
_cell_length_b   8.980
_cell_length_c   11.348
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   748.040
_cell_formula_units_Z   8
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  0.016  0.355  0.110  1.0
  Cs  Cs1  1  0.484  0.645  0.610  1.0
  Cs  Cs2  1  0.984  0.855  0.390  1.0
  Cs  Cs3  1  0.516  0.145  0.890  1.0
  Cs  Cs4  1  0.527  0.215  0.340  1.0
  Cs  Cs5  1  0.973  0.785  0.840  1.0
  Cs  Cs6  1  0.473  0.715  0.160  1.0
  Cs  Cs7  1  0.027  0.285  0.660  1.0
  H  H8  1  0.535  0.410  0.058  1.0
  H  H9  1  0.965  0.590  0.558  1.0
  H  H10  1  0.465  0.910  0.442  1.0
  H  H11  1  0.035  0.090  0.942  1.0
  H  H12  1  0.212  0.494  0.373  1.0
  H  H13  1  0.288  0.506  0.873  1.0
  H  H14  1  0.788  0.994  0.127  1.0
  H  H15  1  0.712  0.006  0.627  1.0
  H  H16  1  0.203  0.020  0.120  1.0
  H  H17  1  0.297  0.980  0.620  1.0
  H  H18  1  0.797  0.520  0.380  1.0
  H  H19  1  0.703  0.480  0.880  1.0
  H  H20  1  0.026  0.263  0.385  1.0
  H  H21  1  0.474  0.737  0.885  1.0
  H  H22  1  0.974  0.763  0.115  1.0
  H  H23  1  0.526  0.237  0.615  1.0
  F  F24  1  0.160  0.354  0.362  1.0
  F  F25  1  0.340  0.646  0.862  1.0
  F  F26  1  0.840  0.854  0.138  1.0
  F  F27  1  0.660  0.146  0.638  1.0
  F  F28  1  0.169  0.037  0.005  1.0
  F  F29  1  0.331  0.963  0.505  1.0
  F  F30  1  0.831  0.537  0.495  1.0
  F  F31  1  0.669  0.463  0.995  1.0
  F  F32  1  0.263  0.599  0.376  1.0
  F  F33  1  0.237  0.401  0.876  1.0
  F  F34  1  0.737  0.099  0.124  1.0
  F  F35  1  0.763  0.901  0.624  1.0
  F  F36  1  0.237  0.010  0.206  1.0
  F  F37  1  0.263  0.990  0.706  1.0
  F  F38  1  0.763  0.510  0.294  1.0
  F  F39  1  0.737  0.490  0.794  1.0
  F  F40  1  0.434  0.371  0.111  1.0
  F  F41  1  0.066  0.629  0.611  1.0
  F  F42  1  0.566  0.871  0.389  1.0
  F  F43  1  0.934  0.129  0.889  1.0
  F  F44  1  0.074  0.689  0.097  1.0
  F  F45  1  0.426  0.311  0.597  1.0
  F  F46  1  0.926  0.189  0.403  1.0
  F  F47  1  0.574  0.811  0.903  1.0
[/CIF]
.
The material described by CsH2F3 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(4), one F(5), one F(6), and two equivalent F(3) atoms. In the second Cs site, Cs(2) is bonded in a 11-coordinate geometry to one H(1), one H(4), one F(1), one F(2), one F(3), two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one Cs(2), one F(2), and one F(5) atom. In the second H site, H(2) is bonded in a linear geometry to one F(1) and one F(3) atom. In the third H site, H(3) is bonded in a linear geometry to one F(2) and one F(4) atom. In the fourth H site, H(4) is bonded in a linear geometry to one Cs(2), one F(1), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(3) is bonded in a single-bond geometry to one Cs(2), two equivalent Cs(1), and one H(2) atom. In the second F site, F(4) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one H(3) atom. In the third F site, F(5) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one H(1) atom. In the fourth F site, F(6) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one H(4) atom. In the fifth F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cs(2), one H(2), and one H(4) atom. In the sixth F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one H(1), and one H(3) atom. is represented by the CIF file [CIF]
data_CsH2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.340
_cell_length_b   8.980
_cell_length_c   11.348
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   748.040
_cell_formula_units_Z   8
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  0.016  0.355  0.110  1.0
  Cs  Cs1  1  0.484  0.645  0.610  1.0
  Cs  Cs2  1  0.984  0.855  0.390  1.0
  Cs  Cs3  1  0.516  0.145  0.890  1.0
  Cs  Cs4  1  0.527  0.215  0.340  1.0
  Cs  Cs5  1  0.973  0.785  0.840  1.0
  Cs  Cs6  1  0.473  0.715  0.160  1.0
  Cs  Cs7  1  0.027  0.285  0.660  1.0
  H  H8  1  0.535  0.410  0.058  1.0
  H  H9  1  0.965  0.590  0.558  1.0
  H  H10  1  0.465  0.910  0.442  1.0
  H  H11  1  0.035  0.090  0.942  1.0
  H  H12  1  0.212  0.494  0.373  1.0
  H  H13  1  0.288  0.506  0.873  1.0
  H  H14  1  0.788  0.994  0.127  1.0
  H  H15  1  0.712  0.006  0.627  1.0
  H  H16  1  0.203  0.020  0.120  1.0
  H  H17  1  0.297  0.980  0.620  1.0
  H  H18  1  0.797  0.520  0.380  1.0
  H  H19  1  0.703  0.480  0.880  1.0
  H  H20  1  0.026  0.263  0.385  1.0
  H  H21  1  0.474  0.737  0.885  1.0
  H  H22  1  0.974  0.763  0.115  1.0
  H  H23  1  0.526  0.237  0.615  1.0
  F  F24  1  0.160  0.354  0.362  1.0
  F  F25  1  0.340  0.646  0.862  1.0
  F  F26  1  0.840  0.854  0.138  1.0
  F  F27  1  0.660  0.146  0.638  1.0
  F  F28  1  0.169  0.037  0.005  1.0
  F  F29  1  0.331  0.963  0.505  1.0
  F  F30  1  0.831  0.537  0.495  1.0
  F  F31  1  0.669  0.463  0.995  1.0
  F  F32  1  0.263  0.599  0.376  1.0
  F  F33  1  0.237  0.401  0.876  1.0
  F  F34  1  0.737  0.099  0.124  1.0
  F  F35  1  0.763  0.901  0.624  1.0
  F  F36  1  0.237  0.010  0.206  1.0
  F  F37  1  0.263  0.990  0.706  1.0
  F  F38  1  0.763  0.510  0.294  1.0
  F  F39  1  0.737  0.490  0.794  1.0
  F  F40  1  0.434  0.371  0.111  1.0
  F  F41  1  0.066  0.629  0.611  1.0
  F  F42  1  0.566  0.871  0.389  1.0
  F  F43  1  0.934  0.129  0.889  1.0
  F  F44  1  0.074  0.689  0.097  1.0
  F  F45  1  0.426  0.311  0.597  1.0
  F  F46  1  0.926  0.189  0.403  1.0
  F  F47  1  0.574  0.811  0.903  1.0
[/CIF]
.