The structure described by Cs2O11I4 crystallizes in the hexagonal P6_3 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(5) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one I(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one I(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent I(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to three equivalent I(1) atoms. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one I(1), and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(5) atoms. is represented by the CIF card [CIF]
data_Cs2I4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.286
_cell_length_b   7.286
_cell_length_c   13.790
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   634.016
_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  0.667  0.333  0.015  1.0
  Cs  Cs1  1  0.333  0.667  0.515  1.0
  Cs  Cs2  1  0.333  0.667  0.143  1.0
  Cs  Cs3  1  0.667  0.333  0.643  1.0
  I  I4  1  0.806  0.666  0.320  1.0
  I  I5  1  0.334  0.139  0.320  1.0
  I  I6  1  0.861  0.194  0.320  1.0
  I  I7  1  0.194  0.334  0.820  1.0
  I  I8  1  0.666  0.861  0.820  1.0
  I  I9  1  0.139  0.806  0.820  1.0
  I  I10  1  0.000  0.000  0.070  1.0
  I  I11  1  0.000  0.000  0.570  1.0
  O  O12  1  0.053  0.667  0.328  1.0
  O  O13  1  0.333  0.386  0.328  1.0
  O  O14  1  0.614  0.947  0.328  1.0
  O  O15  1  0.947  0.333  0.828  1.0
  O  O16  1  0.667  0.614  0.828  1.0
  O  O17  1  0.386  0.053  0.828  1.0
  O  O18  1  0.762  0.648  0.192  1.0
  O  O19  1  0.352  0.114  0.192  1.0
  O  O20  1  0.886  0.238  0.192  1.0
  O  O21  1  0.238  0.352  0.692  1.0
  O  O22  1  0.648  0.886  0.692  1.0
  O  O23  1  0.114  0.762  0.692  1.0
  O  O24  1  0.667  0.333  0.339  1.0
  O  O25  1  0.333  0.667  0.839  1.0
  O  O26  1  0.000  0.000  0.312  1.0
  O  O27  1  1.000  1.000  0.812  1.0
  O  O28  1  0.161  0.253  0.009  1.0
  O  O29  1  0.747  0.908  0.009  1.0
  O  O30  1  0.092  0.839  0.009  1.0
  O  O31  1  0.839  0.747  0.509  1.0
  O  O32  1  0.253  0.092  0.509  1.0
  O  O33  1  0.908  0.161  0.509  1.0
[/CIF]
.
The structure described by Cs2O11I4 crystallizes in the hexagonal P6_3 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(5) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one I(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one I(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent I(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to three equivalent I(1) atoms. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one I(1), and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(5) atoms. is represented by the CIF card [CIF]
data_Cs2I4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.286
_cell_length_b   7.286
_cell_length_c   13.790
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   634.016
_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  0.667  0.333  0.015  1.0
  Cs  Cs1  1  0.333  0.667  0.515  1.0
  Cs  Cs2  1  0.333  0.667  0.143  1.0
  Cs  Cs3  1  0.667  0.333  0.643  1.0
  I  I4  1  0.806  0.666  0.320  1.0
  I  I5  1  0.334  0.139  0.320  1.0
  I  I6  1  0.861  0.194  0.320  1.0
  I  I7  1  0.194  0.334  0.820  1.0
  I  I8  1  0.666  0.861  0.820  1.0
  I  I9  1  0.139  0.806  0.820  1.0
  I  I10  1  0.000  0.000  0.070  1.0
  I  I11  1  0.000  0.000  0.570  1.0
  O  O12  1  0.053  0.667  0.328  1.0
  O  O13  1  0.333  0.386  0.328  1.0
  O  O14  1  0.614  0.947  0.328  1.0
  O  O15  1  0.947  0.333  0.828  1.0
  O  O16  1  0.667  0.614  0.828  1.0
  O  O17  1  0.386  0.053  0.828  1.0
  O  O18  1  0.762  0.648  0.192  1.0
  O  O19  1  0.352  0.114  0.192  1.0
  O  O20  1  0.886  0.238  0.192  1.0
  O  O21  1  0.238  0.352  0.692  1.0
  O  O22  1  0.648  0.886  0.692  1.0
  O  O23  1  0.114  0.762  0.692  1.0
  O  O24  1  0.667  0.333  0.339  1.0
  O  O25  1  0.333  0.667  0.839  1.0
  O  O26  1  0.000  0.000  0.312  1.0
  O  O27  1  1.000  1.000  0.812  1.0
  O  O28  1  0.161  0.253  0.009  1.0
  O  O29  1  0.747  0.908  0.009  1.0
  O  O30  1  0.092  0.839  0.009  1.0
  O  O31  1  0.839  0.747  0.509  1.0
  O  O32  1  0.253  0.092  0.509  1.0
  O  O33  1  0.908  0.161  0.509  1.0
[/CIF]
.