The crystal structure described by CsIn(SeO5)2 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and four equivalent O(3) atoms. In(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form InO6 octahedra that share corners with four equivalent Se(1)O4 tetrahedra. Se(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SeO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to one Cs(1) and one In(1) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one In(1), and one Se(1) atom. In the third O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one In(1), and one Se(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Se(1) atom. In the fifth O site, O(4) is bonded in a single-bond geometry to one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsIn(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.494
_cell_length_b   8.636
_cell_length_c   8.636
_cell_angle_alpha   112.022
_cell_angle_beta   99.543
_cell_angle_gamma   99.543
_symmetry_Int_Tables_number   1
_cell_volume   494.887
_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  0.386  0.614  1.0
  Cs  Cs1  1  0.250  0.614  0.386  1.0
  In  In2  1  0.750  0.824  0.176  1.0
  In  In3  1  0.250  0.176  0.824  1.0
  Se  Se4  1  0.820  0.899  0.618  1.0
  Se  Se5  1  0.680  0.382  0.101  1.0
  Se  Se6  1  0.180  0.101  0.382  1.0
  Se  Se7  1  0.320  0.618  0.899  1.0
  O  O8  1  0.678  0.862  0.427  1.0
  O  O9  1  0.822  0.573  0.138  1.0
  O  O10  1  0.322  0.138  0.573  1.0
  O  O11  1  0.178  0.427  0.862  1.0
  O  O12  1  0.951  0.105  0.701  1.0
  O  O13  1  0.549  0.299  0.895  1.0
  O  O14  1  0.049  0.895  0.299  1.0
  O  O15  1  0.451  0.701  0.105  1.0
  O  O16  1  0.961  0.765  0.592  1.0
  O  O17  1  0.539  0.408  0.235  1.0
  O  O18  1  0.039  0.235  0.408  1.0
  O  O19  1  0.461  0.592  0.765  1.0
  O  O20  1  0.675  0.878  0.740  1.0
  O  O21  1  0.825  0.260  0.122  1.0
  O  O22  1  0.325  0.122  0.260  1.0
  O  O23  1  0.175  0.740  0.878  1.0
  O  O24  1  0.736  0.095  0.256  1.0
  O  O25  1  0.764  0.744  0.905  1.0
  O  O26  1  0.264  0.905  0.744  1.0
  O  O27  1  0.236  0.256  0.095  1.0
[/CIF]
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The crystal structure described by CsIn(SeO5)2 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and four equivalent O(3) atoms. In(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form InO6 octahedra that share corners with four equivalent Se(1)O4 tetrahedra. Se(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SeO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to one Cs(1) and one In(1) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one In(1), and one Se(1) atom. In the third O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one In(1), and one Se(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Se(1) atom. In the fifth O site, O(4) is bonded in a single-bond geometry to one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsIn(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.494
_cell_length_b   8.636
_cell_length_c   8.636
_cell_angle_alpha   112.022
_cell_angle_beta   99.543
_cell_angle_gamma   99.543
_symmetry_Int_Tables_number   1
_cell_volume   494.887
_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  0.386  0.614  1.0
  Cs  Cs1  1  0.250  0.614  0.386  1.0
  In  In2  1  0.750  0.824  0.176  1.0
  In  In3  1  0.250  0.176  0.824  1.0
  Se  Se4  1  0.820  0.899  0.618  1.0
  Se  Se5  1  0.680  0.382  0.101  1.0
  Se  Se6  1  0.180  0.101  0.382  1.0
  Se  Se7  1  0.320  0.618  0.899  1.0
  O  O8  1  0.678  0.862  0.427  1.0
  O  O9  1  0.822  0.573  0.138  1.0
  O  O10  1  0.322  0.138  0.573  1.0
  O  O11  1  0.178  0.427  0.862  1.0
  O  O12  1  0.951  0.105  0.701  1.0
  O  O13  1  0.549  0.299  0.895  1.0
  O  O14  1  0.049  0.895  0.299  1.0
  O  O15  1  0.451  0.701  0.105  1.0
  O  O16  1  0.961  0.765  0.592  1.0
  O  O17  1  0.539  0.408  0.235  1.0
  O  O18  1  0.039  0.235  0.408  1.0
  O  O19  1  0.461  0.592  0.765  1.0
  O  O20  1  0.675  0.878  0.740  1.0
  O  O21  1  0.825  0.260  0.122  1.0
  O  O22  1  0.325  0.122  0.260  1.0
  O  O23  1  0.175  0.740  0.878  1.0
  O  O24  1  0.736  0.095  0.256  1.0
  O  O25  1  0.764  0.744  0.905  1.0
  O  O26  1  0.264  0.905  0.744  1.0
  O  O27  1  0.236  0.256  0.095  1.0
[/CIF]
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