The material described by CsH3O2 crystallizes in the tetragonal I4_1/amd space group. Cs(1) is bonded to four equivalent H(2) and eight equivalent H(1) atoms to form a mixture of distorted face, corner, and edge-sharing CsH12 cuboctahedra. There are two inequivalent H sites. In the first H site, H(2) is bonded in a linear geometry to four equivalent Cs(1) and two equivalent O(1) atoms. In the second H site, H(1) is bonded in a linear geometry to four equivalent Cs(1) and two equivalent O(1) atoms. O(1) is bonded in a trigonal planar geometry to one H(2) and two equivalent H(1) atoms. is represented by the CIF file [CIF]
data_CsH3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.830
_cell_length_b   7.830
_cell_length_c   7.830
_cell_angle_alpha   147.450
_cell_angle_beta   147.450
_cell_angle_gamma   46.698
_symmetry_Int_Tables_number   1
_cell_volume   138.458
_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  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.375  0.625  0.250  1.0
  H  H3  1  0.375  0.625  0.750  1.0
  H  H4  1  0.875  0.625  0.250  1.0
  H  H5  1  0.375  0.125  0.750  1.0
  H  H6  1  0.250  0.750  0.500  1.0
  H  H7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.336  0.836  0.500  1.0
  O  O9  1  0.414  0.414  0.000  1.0
  O  O10  1  0.586  0.586  0.000  1.0
  O  O11  1  0.164  0.664  0.500  1.0
[/CIF]
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The material described by CsH3O2 crystallizes in the tetragonal I4_1/amd space group. Cs(1) is bonded to four equivalent H(2) and eight equivalent H(1) atoms to form a mixture of distorted face, corner, and edge-sharing CsH12 cuboctahedra. There are two inequivalent H sites. In the first H site, H(2) is bonded in a linear geometry to four equivalent Cs(1) and two equivalent O(1) atoms. In the second H site, H(1) is bonded in a linear geometry to four equivalent Cs(1) and two equivalent O(1) atoms. O(1) is bonded in a trigonal planar geometry to one H(2) and two equivalent H(1) atoms. is represented by the CIF file [CIF]
data_CsH3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.830
_cell_length_b   7.830
_cell_length_c   7.830
_cell_angle_alpha   147.450
_cell_angle_beta   147.450
_cell_angle_gamma   46.698
_symmetry_Int_Tables_number   1
_cell_volume   138.458
_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  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.375  0.625  0.250  1.0
  H  H3  1  0.375  0.625  0.750  1.0
  H  H4  1  0.875  0.625  0.250  1.0
  H  H5  1  0.375  0.125  0.750  1.0
  H  H6  1  0.250  0.750  0.500  1.0
  H  H7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.336  0.836  0.500  1.0
  O  O9  1  0.414  0.414  0.000  1.0
  O  O10  1  0.586  0.586  0.000  1.0
  O  O11  1  0.164  0.664  0.500  1.0
[/CIF]
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