The material described by CsHSi3O7 crystallizes in the orthorhombic P2_12_12_1 space group. Cs(1) is bonded in a 9-coordinate geometry to one H(1), one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(1), one O(5), and two equivalent O(3) atoms to form corner-sharing SiO4 tetrahedra. H(1) is bonded in a linear geometry to one Cs(1), one O(1), and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Cs(1), one Si(3), and one H(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cs(1), one Si(1), and one Si(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cs(1) and two equivalent Si(3) atoms. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Si(2), and one H(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cs(1), one Si(1), and one Si(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Si(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. is represented by the CIF file [CIF]
data_CsSi3HO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.993
_cell_length_b   10.548
_cell_length_c   14.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   758.380
_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  0.031  0.081  0.750  1.0
  Cs  Cs1  1  0.469  0.919  0.250  1.0
  Cs  Cs2  1  0.531  0.419  0.250  1.0
  Cs  Cs3  1  0.969  0.581  0.750  1.0
  Si  Si4  1  0.021  0.916  0.008  1.0
  Si  Si5  1  0.026  0.651  0.108  1.0
  Si  Si6  1  0.103  0.204  0.056  1.0
  Si  Si7  1  0.397  0.796  0.556  1.0
  Si  Si8  1  0.474  0.349  0.608  1.0
  Si  Si9  1  0.479  0.084  0.508  1.0
  Si  Si10  1  0.521  0.584  0.992  1.0
  Si  Si11  1  0.526  0.849  0.892  1.0
  Si  Si12  1  0.603  0.296  0.944  1.0
  Si  Si13  1  0.897  0.704  0.444  1.0
  Si  Si14  1  0.974  0.151  0.392  1.0
  Si  Si15  1  0.979  0.416  0.492  1.0
  H  H16  1  0.027  0.696  0.287  1.0
  H  H17  1  0.473  0.304  0.787  1.0
  H  H18  1  0.527  0.804  0.713  1.0
  H  H19  1  0.973  0.196  0.213  1.0
  O  O20  1  0.026  0.259  0.157  1.0
  O  O21  1  0.054  0.806  0.086  1.0
  O  O22  1  0.093  0.750  0.529  1.0
  O  O23  1  0.099  0.620  0.212  1.0
  O  O24  1  0.101  0.048  0.060  1.0
  O  O25  1  0.214  0.889  0.918  1.0
  O  O26  1  0.214  0.577  0.030  1.0
  O  O27  1  0.286  0.423  0.530  1.0
  O  O28  1  0.286  0.111  0.418  1.0
  O  O29  1  0.399  0.952  0.560  1.0
  O  O30  1  0.401  0.380  0.712  1.0
  O  O31  1  0.407  0.250  0.029  1.0
  O  O32  1  0.446  0.194  0.586  1.0
  O  O33  1  0.474  0.741  0.657  1.0
  O  O34  1  0.526  0.241  0.843  1.0
  O  O35  1  0.554  0.694  0.914  1.0
  O  O36  1  0.593  0.750  0.471  1.0
  O  O37  1  0.599  0.880  0.788  1.0
  O  O38  1  0.601  0.452  0.940  1.0
  O  O39  1  0.714  0.611  0.082  1.0
  O  O40  1  0.714  0.923  0.970  1.0
  O  O41  1  0.786  0.077  0.470  1.0
  O  O42  1  0.786  0.389  0.582  1.0
  O  O43  1  0.899  0.548  0.440  1.0
  O  O44  1  0.901  0.120  0.288  1.0
  O  O45  1  0.907  0.250  0.971  1.0
  O  O46  1  0.946  0.306  0.414  1.0
  O  O47  1  0.974  0.759  0.343  1.0
[/CIF]
.
The material described by CsHSi3O7 crystallizes in the orthorhombic P2_12_12_1 space group. Cs(1) is bonded in a 9-coordinate geometry to one H(1), one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(1), one O(5), and two equivalent O(3) atoms to form corner-sharing SiO4 tetrahedra. H(1) is bonded in a linear geometry to one Cs(1), one O(1), and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Cs(1), one Si(3), and one H(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cs(1), one Si(1), and one Si(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cs(1) and two equivalent Si(3) atoms. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Si(2), and one H(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cs(1), one Si(1), and one Si(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Si(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. is represented by the CIF file [CIF]
data_CsSi3HO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.993
_cell_length_b   10.548
_cell_length_c   14.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   758.380
_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  0.031  0.081  0.750  1.0
  Cs  Cs1  1  0.469  0.919  0.250  1.0
  Cs  Cs2  1  0.531  0.419  0.250  1.0
  Cs  Cs3  1  0.969  0.581  0.750  1.0
  Si  Si4  1  0.021  0.916  0.008  1.0
  Si  Si5  1  0.026  0.651  0.108  1.0
  Si  Si6  1  0.103  0.204  0.056  1.0
  Si  Si7  1  0.397  0.796  0.556  1.0
  Si  Si8  1  0.474  0.349  0.608  1.0
  Si  Si9  1  0.479  0.084  0.508  1.0
  Si  Si10  1  0.521  0.584  0.992  1.0
  Si  Si11  1  0.526  0.849  0.892  1.0
  Si  Si12  1  0.603  0.296  0.944  1.0
  Si  Si13  1  0.897  0.704  0.444  1.0
  Si  Si14  1  0.974  0.151  0.392  1.0
  Si  Si15  1  0.979  0.416  0.492  1.0
  H  H16  1  0.027  0.696  0.287  1.0
  H  H17  1  0.473  0.304  0.787  1.0
  H  H18  1  0.527  0.804  0.713  1.0
  H  H19  1  0.973  0.196  0.213  1.0
  O  O20  1  0.026  0.259  0.157  1.0
  O  O21  1  0.054  0.806  0.086  1.0
  O  O22  1  0.093  0.750  0.529  1.0
  O  O23  1  0.099  0.620  0.212  1.0
  O  O24  1  0.101  0.048  0.060  1.0
  O  O25  1  0.214  0.889  0.918  1.0
  O  O26  1  0.214  0.577  0.030  1.0
  O  O27  1  0.286  0.423  0.530  1.0
  O  O28  1  0.286  0.111  0.418  1.0
  O  O29  1  0.399  0.952  0.560  1.0
  O  O30  1  0.401  0.380  0.712  1.0
  O  O31  1  0.407  0.250  0.029  1.0
  O  O32  1  0.446  0.194  0.586  1.0
  O  O33  1  0.474  0.741  0.657  1.0
  O  O34  1  0.526  0.241  0.843  1.0
  O  O35  1  0.554  0.694  0.914  1.0
  O  O36  1  0.593  0.750  0.471  1.0
  O  O37  1  0.599  0.880  0.788  1.0
  O  O38  1  0.601  0.452  0.940  1.0
  O  O39  1  0.714  0.611  0.082  1.0
  O  O40  1  0.714  0.923  0.970  1.0
  O  O41  1  0.786  0.077  0.470  1.0
  O  O42  1  0.786  0.389  0.582  1.0
  O  O43  1  0.899  0.548  0.440  1.0
  O  O44  1  0.901  0.120  0.288  1.0
  O  O45  1  0.907  0.250  0.971  1.0
  O  O46  1  0.946  0.306  0.414  1.0
  O  O47  1  0.974  0.759  0.343  1.0
[/CIF]
.