The compound described by MgO6(O5I)2 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two magnesium;dihydroxide;tetrahydrate molecules and two O5I clusters. In each O5I cluster, there are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one I(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one I(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one I(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one I(1) atom. In the fifth O site, O(5) is bonded in a water-like geometry to two equivalent I(1) atoms. I(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form edge-sharing IO6 octahedra. is represented by the CIF card [CIF]
data_Mg(IO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.196
_cell_length_b   10.507
_cell_length_c   10.922
_cell_angle_alpha   66.156
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   545.391
_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
  Mg  Mg0  1  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  I  I2  1  0.961  0.137  0.874  1.0
  I  I3  1  0.461  0.863  0.626  1.0
  I  I4  1  0.039  0.863  0.126  1.0
  I  I5  1  0.539  0.137  0.374  1.0
  O  O6  1  0.849  0.318  0.852  1.0
  O  O7  1  0.349  0.682  0.648  1.0
  O  O8  1  0.151  0.682  0.148  1.0
  O  O9  1  0.651  0.318  0.352  1.0
  O  O10  1  0.303  0.203  0.887  1.0
  O  O11  1  0.803  0.797  0.613  1.0
  O  O12  1  0.697  0.797  0.113  1.0
  O  O13  1  0.197  0.203  0.387  1.0
  O  O14  1  0.631  0.083  0.844  1.0
  O  O15  1  0.131  0.917  0.656  1.0
  O  O16  1  0.369  0.917  0.156  1.0
  O  O17  1  0.869  0.083  0.344  1.0
  O  O18  1  0.944  0.812  0.304  1.0
  O  O19  1  0.444  0.188  0.196  1.0
  O  O20  1  0.056  0.188  0.696  1.0
  O  O21  1  0.556  0.812  0.804  1.0
  O  O22  1  0.082  0.941  0.927  1.0
  O  O23  1  0.582  0.059  0.573  1.0
  O  O24  1  0.918  0.059  0.073  1.0
  O  O25  1  0.418  0.941  0.427  1.0
  O  O26  1  0.269  0.656  0.468  1.0
  O  O27  1  0.769  0.344  0.032  1.0
  O  O28  1  0.731  0.344  0.532  1.0
  O  O29  1  0.231  0.656  0.968  1.0
  O  O30  1  0.185  0.444  0.345  1.0
  O  O31  1  0.685  0.556  0.155  1.0
  O  O32  1  0.815  0.556  0.655  1.0
  O  O33  1  0.315  0.444  0.845  1.0
  O  O34  1  0.638  0.586  0.450  1.0
  O  O35  1  0.138  0.414  0.050  1.0
  O  O36  1  0.362  0.414  0.550  1.0
  O  O37  1  0.862  0.586  0.950  1.0
[/CIF]
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The compound described by MgO6(O5I)2 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two magnesium;dihydroxide;tetrahydrate molecules and two O5I clusters. In each O5I cluster, there are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one I(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one I(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one I(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one I(1) atom. In the fifth O site, O(5) is bonded in a water-like geometry to two equivalent I(1) atoms. I(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form edge-sharing IO6 octahedra. is represented by the CIF card [CIF]
data_Mg(IO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.196
_cell_length_b   10.507
_cell_length_c   10.922
_cell_angle_alpha   66.156
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   545.391
_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
  Mg  Mg0  1  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  I  I2  1  0.961  0.137  0.874  1.0
  I  I3  1  0.461  0.863  0.626  1.0
  I  I4  1  0.039  0.863  0.126  1.0
  I  I5  1  0.539  0.137  0.374  1.0
  O  O6  1  0.849  0.318  0.852  1.0
  O  O7  1  0.349  0.682  0.648  1.0
  O  O8  1  0.151  0.682  0.148  1.0
  O  O9  1  0.651  0.318  0.352  1.0
  O  O10  1  0.303  0.203  0.887  1.0
  O  O11  1  0.803  0.797  0.613  1.0
  O  O12  1  0.697  0.797  0.113  1.0
  O  O13  1  0.197  0.203  0.387  1.0
  O  O14  1  0.631  0.083  0.844  1.0
  O  O15  1  0.131  0.917  0.656  1.0
  O  O16  1  0.369  0.917  0.156  1.0
  O  O17  1  0.869  0.083  0.344  1.0
  O  O18  1  0.944  0.812  0.304  1.0
  O  O19  1  0.444  0.188  0.196  1.0
  O  O20  1  0.056  0.188  0.696  1.0
  O  O21  1  0.556  0.812  0.804  1.0
  O  O22  1  0.082  0.941  0.927  1.0
  O  O23  1  0.582  0.059  0.573  1.0
  O  O24  1  0.918  0.059  0.073  1.0
  O  O25  1  0.418  0.941  0.427  1.0
  O  O26  1  0.269  0.656  0.468  1.0
  O  O27  1  0.769  0.344  0.032  1.0
  O  O28  1  0.731  0.344  0.532  1.0
  O  O29  1  0.231  0.656  0.968  1.0
  O  O30  1  0.185  0.444  0.345  1.0
  O  O31  1  0.685  0.556  0.155  1.0
  O  O32  1  0.815  0.556  0.655  1.0
  O  O33  1  0.315  0.444  0.845  1.0
  O  O34  1  0.638  0.586  0.450  1.0
  O  O35  1  0.138  0.414  0.050  1.0
  O  O36  1  0.362  0.414  0.550  1.0
  O  O37  1  0.862  0.586  0.950  1.0
[/CIF]
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