The crystal structure described by CaO8(O2I)2 is Indium-derived structured and crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of eight CaO8 clusters and sixteen O2I clusters. In each CaO8 cluster, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 2-coordinate geometry to one Ca(1) and one O(6) atom. In the second O site, O(5) is bonded in a 2-coordinate geometry to one Ca(1) and one O(2) atom. In the third O site, O(6) is bonded in a distorted L-shaped geometry to one Ca(1) and one O(4) atom. In the fourth O site, O(2) is bonded in a distorted L-shaped geometry to one Ca(1) and one O(5) atom. In each O2I cluster, there are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one I(1) atom. In the second O site, O(3) is bonded in a single-bond geometry to one I(1) atom. I(1) is bonded in a distorted water-like geometry to one O(1) and one O(3) atom. is represented by the CIF card [CIF]
data_Ca(IO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.771
_cell_length_b   14.366
_cell_length_c   8.237
_cell_angle_alpha   83.813
_cell_angle_beta   64.905
_cell_angle_gamma   31.283
_symmetry_Int_Tables_number   1
_cell_volume   737.705
_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
  Ca  Ca0  1  0.919  0.581  0.581  1.0
  Ca  Ca1  1  0.669  0.331  0.331  1.0
  I  I2  1  0.228  0.015  0.320  1.0
  I  I3  1  0.437  0.320  0.015  1.0
  I  I4  1  0.930  0.813  0.022  1.0
  I  I5  1  0.235  0.022  0.813  1.0
  O  O6  1  0.312  0.002  0.441  1.0
  O  O7  1  0.245  0.441  0.002  1.0
  O  O8  1  0.809  0.005  0.938  1.0
  O  O9  1  0.248  0.938  0.005  1.0
  O  O10  1  0.501  0.624  0.469  1.0
  O  O11  1  0.406  0.469  0.624  1.0
  O  O12  1  0.781  0.844  0.749  1.0
  O  O13  1  0.626  0.749  0.844  1.0
  O  O14  1  0.013  0.301  0.978  1.0
  O  O15  1  0.708  0.978  0.301  1.0
  O  O16  1  0.272  0.542  0.237  1.0
  O  O17  1  0.949  0.237  0.542  1.0
  O  O18  1  0.185  0.309  0.626  1.0
  O  O19  1  0.880  0.626  0.309  1.0
  O  O20  1  0.624  0.370  0.065  1.0
  O  O21  1  0.941  0.065  0.370  1.0
  O  O22  1  0.778  0.567  0.828  1.0
  O  O23  1  0.827  0.828  0.567  1.0
  O  O24  1  0.422  0.423  0.472  1.0
  O  O25  1  0.683  0.472  0.423  1.0
  O  O26  1  0.804  0.245  0.980  1.0
  O  O27  1  0.970  0.980  0.245  1.0
  O  O28  1  0.270  0.280  0.446  1.0
  O  O29  1  0.005  0.446  0.280  1.0
[/CIF]
.
The crystal structure described by CaO8(O2I)2 is Indium-derived structured and crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of eight CaO8 clusters and sixteen O2I clusters. In each CaO8 cluster, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 2-coordinate geometry to one Ca(1) and one O(6) atom. In the second O site, O(5) is bonded in a 2-coordinate geometry to one Ca(1) and one O(2) atom. In the third O site, O(6) is bonded in a distorted L-shaped geometry to one Ca(1) and one O(4) atom. In the fourth O site, O(2) is bonded in a distorted L-shaped geometry to one Ca(1) and one O(5) atom. In each O2I cluster, there are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one I(1) atom. In the second O site, O(3) is bonded in a single-bond geometry to one I(1) atom. I(1) is bonded in a distorted water-like geometry to one O(1) and one O(3) atom. is represented by the CIF card [CIF]
data_Ca(IO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.771
_cell_length_b   14.366
_cell_length_c   8.237
_cell_angle_alpha   83.813
_cell_angle_beta   64.905
_cell_angle_gamma   31.283
_symmetry_Int_Tables_number   1
_cell_volume   737.705
_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
  Ca  Ca0  1  0.919  0.581  0.581  1.0
  Ca  Ca1  1  0.669  0.331  0.331  1.0
  I  I2  1  0.228  0.015  0.320  1.0
  I  I3  1  0.437  0.320  0.015  1.0
  I  I4  1  0.930  0.813  0.022  1.0
  I  I5  1  0.235  0.022  0.813  1.0
  O  O6  1  0.312  0.002  0.441  1.0
  O  O7  1  0.245  0.441  0.002  1.0
  O  O8  1  0.809  0.005  0.938  1.0
  O  O9  1  0.248  0.938  0.005  1.0
  O  O10  1  0.501  0.624  0.469  1.0
  O  O11  1  0.406  0.469  0.624  1.0
  O  O12  1  0.781  0.844  0.749  1.0
  O  O13  1  0.626  0.749  0.844  1.0
  O  O14  1  0.013  0.301  0.978  1.0
  O  O15  1  0.708  0.978  0.301  1.0
  O  O16  1  0.272  0.542  0.237  1.0
  O  O17  1  0.949  0.237  0.542  1.0
  O  O18  1  0.185  0.309  0.626  1.0
  O  O19  1  0.880  0.626  0.309  1.0
  O  O20  1  0.624  0.370  0.065  1.0
  O  O21  1  0.941  0.065  0.370  1.0
  O  O22  1  0.778  0.567  0.828  1.0
  O  O23  1  0.827  0.828  0.567  1.0
  O  O24  1  0.422  0.423  0.472  1.0
  O  O25  1  0.683  0.472  0.423  1.0
  O  O26  1  0.804  0.245  0.980  1.0
  O  O27  1  0.970  0.980  0.245  1.0
  O  O28  1  0.270  0.280  0.446  1.0
  O  O29  1  0.005  0.446  0.280  1.0
[/CIF]
.