The crystal structure described by CsIn(SeO4)2H2 crystallizes in the monoclinic C2/c space group. The structure consists of four 1333-74-0 molecules inside a CsIn(SeO4)2 framework. In the CsIn(SeO4)2 framework, Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. In(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Cs(1), one In(1), and one Se(1) atom. In the second O site, O(4) is bonded in a distorted bent 150 degrees geometry to one In(1) and one Se(1) atom. In the third O site, O(1) is bonded in a single-bond geometry to one Cs(1) and one Se(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsInH2(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.374
_cell_length_b   9.374
_cell_length_c   6.881
_cell_angle_alpha   80.516
_cell_angle_beta   80.516
_cell_angle_gamma   115.207
_symmetry_Int_Tables_number   1
_cell_volume   520.587
_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  0.598  0.402  0.750  1.0
  Cs  Cs1  1  0.402  0.598  0.250  1.0
  In  In2  1  0.226  0.774  0.750  1.0
  In  In3  1  0.774  0.226  0.250  1.0
  H  H4  1  0.963  0.066  0.295  1.0
  H  H5  1  0.037  0.934  0.705  1.0
  H  H6  1  0.934  0.037  0.205  1.0
  H  H7  1  0.066  0.963  0.795  1.0
  Se  Se8  1  0.615  0.904  0.707  1.0
  Se  Se9  1  0.385  0.096  0.293  1.0
  Se  Se10  1  0.096  0.385  0.793  1.0
  Se  Se11  1  0.904  0.615  0.207  1.0
  O  O12  1  0.716  0.882  0.871  1.0
  O  O13  1  0.284  0.118  0.129  1.0
  O  O14  1  0.118  0.284  0.629  1.0
  O  O15  1  0.882  0.716  0.371  1.0
  O  O16  1  0.561  0.770  0.570  1.0
  O  O17  1  0.439  0.230  0.430  1.0
  O  O18  1  0.230  0.439  0.930  1.0
  O  O19  1  0.770  0.561  0.070  1.0
  O  O20  1  0.435  0.891  0.846  1.0
  O  O21  1  0.565  0.109  0.154  1.0
  O  O22  1  0.109  0.565  0.654  1.0
  O  O23  1  0.891  0.435  0.346  1.0
  O  O24  1  0.715  0.102  0.557  1.0
  O  O25  1  0.285  0.898  0.443  1.0
  O  O26  1  0.898  0.285  0.943  1.0
  O  O27  1  0.102  0.715  0.057  1.0
[/CIF]
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The crystal structure described by CsIn(SeO4)2H2 crystallizes in the monoclinic C2/c space group. The structure consists of four 1333-74-0 molecules inside a CsIn(SeO4)2 framework. In the CsIn(SeO4)2 framework, Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. In(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Cs(1), one In(1), and one Se(1) atom. In the second O site, O(4) is bonded in a distorted bent 150 degrees geometry to one In(1) and one Se(1) atom. In the third O site, O(1) is bonded in a single-bond geometry to one Cs(1) and one Se(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsInH2(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.374
_cell_length_b   9.374
_cell_length_c   6.881
_cell_angle_alpha   80.516
_cell_angle_beta   80.516
_cell_angle_gamma   115.207
_symmetry_Int_Tables_number   1
_cell_volume   520.587
_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  0.598  0.402  0.750  1.0
  Cs  Cs1  1  0.402  0.598  0.250  1.0
  In  In2  1  0.226  0.774  0.750  1.0
  In  In3  1  0.774  0.226  0.250  1.0
  H  H4  1  0.963  0.066  0.295  1.0
  H  H5  1  0.037  0.934  0.705  1.0
  H  H6  1  0.934  0.037  0.205  1.0
  H  H7  1  0.066  0.963  0.795  1.0
  Se  Se8  1  0.615  0.904  0.707  1.0
  Se  Se9  1  0.385  0.096  0.293  1.0
  Se  Se10  1  0.096  0.385  0.793  1.0
  Se  Se11  1  0.904  0.615  0.207  1.0
  O  O12  1  0.716  0.882  0.871  1.0
  O  O13  1  0.284  0.118  0.129  1.0
  O  O14  1  0.118  0.284  0.629  1.0
  O  O15  1  0.882  0.716  0.371  1.0
  O  O16  1  0.561  0.770  0.570  1.0
  O  O17  1  0.439  0.230  0.430  1.0
  O  O18  1  0.230  0.439  0.930  1.0
  O  O19  1  0.770  0.561  0.070  1.0
  O  O20  1  0.435  0.891  0.846  1.0
  O  O21  1  0.565  0.109  0.154  1.0
  O  O22  1  0.109  0.565  0.654  1.0
  O  O23  1  0.891  0.435  0.346  1.0
  O  O24  1  0.715  0.102  0.557  1.0
  O  O25  1  0.285  0.898  0.443  1.0
  O  O26  1  0.898  0.285  0.943  1.0
  O  O27  1  0.102  0.715  0.057  1.0
[/CIF]
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