The material described by (Mg(H2O)6)2CdBr6 is Indium-derived structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three CdBr6 clusters and six Mg(H2O)6 clusters. In each CdBr6 cluster, Cd(1) is bonded in an octahedral geometry to six equivalent Br(1) atoms. Br(1) is bonded in a distorted single-bond geometry to one Cd(1) atom. In each Mg(H2O)6 cluster, Mg(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(3), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2CdH24(BrO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.691
_cell_length_b   8.691
_cell_length_c   8.691
_cell_angle_alpha   74.162
_cell_angle_beta   74.162
_cell_angle_gamma   74.162
_symmetry_Int_Tables_number   1
_cell_volume   593.387
_cell_formula_units_Z   1
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  0.322  0.322  0.322  1.0
  Mg  Mg1  1  0.678  0.678  0.678  1.0
  Cd  Cd2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.061  0.179  0.391  1.0
  H  H4  1  0.179  0.391  0.061  1.0
  H  H5  1  0.391  0.061  0.179  1.0
  H  H6  1  0.939  0.821  0.609  1.0
  H  H7  1  0.821  0.609  0.939  1.0
  H  H8  1  0.609  0.939  0.821  1.0
  H  H9  1  0.152  0.093  0.536  1.0
  H  H10  1  0.093  0.536  0.152  1.0
  H  H11  1  0.536  0.152  0.093  1.0
  H  H12  1  0.848  0.907  0.464  1.0
  H  H13  1  0.907  0.464  0.848  1.0
  H  H14  1  0.464  0.848  0.907  1.0
  H  H15  1  0.624  0.402  0.204  1.0
  H  H16  1  0.402  0.204  0.624  1.0
  H  H17  1  0.204  0.624  0.402  1.0
  H  H18  1  0.376  0.598  0.796  1.0
  H  H19  1  0.598  0.796  0.376  1.0
  H  H20  1  0.796  0.376  0.598  1.0
  H  H21  1  0.489  0.563  0.156  1.0
  H  H22  1  0.563  0.156  0.489  1.0
  H  H23  1  0.156  0.489  0.563  1.0
  H  H24  1  0.511  0.437  0.844  1.0
  H  H25  1  0.437  0.844  0.511  1.0
  H  H26  1  0.844  0.511  0.437  1.0
  Br  Br27  1  0.847  0.153  0.274  1.0
  Br  Br28  1  0.153  0.274  0.847  1.0
  Br  Br29  1  0.274  0.847  0.153  1.0
  Br  Br30  1  0.153  0.847  0.726  1.0
  Br  Br31  1  0.847  0.726  0.153  1.0
  Br  Br32  1  0.726  0.153  0.847  1.0
  O  O33  1  0.143  0.189  0.444  1.0
  O  O34  1  0.189  0.444  0.143  1.0
  O  O35  1  0.444  0.143  0.189  1.0
  O  O36  1  0.857  0.811  0.556  1.0
  O  O37  1  0.811  0.556  0.857  1.0
  O  O38  1  0.556  0.857  0.811  1.0
  O  O39  1  0.508  0.445  0.200  1.0
  O  O40  1  0.445  0.200  0.508  1.0
  O  O41  1  0.200  0.508  0.445  1.0
  O  O42  1  0.492  0.555  0.800  1.0
  O  O43  1  0.555  0.800  0.492  1.0
  O  O44  1  0.800  0.492  0.555  1.0
[/CIF]
.
The material described by (Mg(H2O)6)2CdBr6 is Indium-derived structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three CdBr6 clusters and six Mg(H2O)6 clusters. In each CdBr6 cluster, Cd(1) is bonded in an octahedral geometry to six equivalent Br(1) atoms. Br(1) is bonded in a distorted single-bond geometry to one Cd(1) atom. In each Mg(H2O)6 cluster, Mg(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(3), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2CdH24(BrO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.691
_cell_length_b   8.691
_cell_length_c   8.691
_cell_angle_alpha   74.162
_cell_angle_beta   74.162
_cell_angle_gamma   74.162
_symmetry_Int_Tables_number   1
_cell_volume   593.387
_cell_formula_units_Z   1
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  0.322  0.322  0.322  1.0
  Mg  Mg1  1  0.678  0.678  0.678  1.0
  Cd  Cd2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.061  0.179  0.391  1.0
  H  H4  1  0.179  0.391  0.061  1.0
  H  H5  1  0.391  0.061  0.179  1.0
  H  H6  1  0.939  0.821  0.609  1.0
  H  H7  1  0.821  0.609  0.939  1.0
  H  H8  1  0.609  0.939  0.821  1.0
  H  H9  1  0.152  0.093  0.536  1.0
  H  H10  1  0.093  0.536  0.152  1.0
  H  H11  1  0.536  0.152  0.093  1.0
  H  H12  1  0.848  0.907  0.464  1.0
  H  H13  1  0.907  0.464  0.848  1.0
  H  H14  1  0.464  0.848  0.907  1.0
  H  H15  1  0.624  0.402  0.204  1.0
  H  H16  1  0.402  0.204  0.624  1.0
  H  H17  1  0.204  0.624  0.402  1.0
  H  H18  1  0.376  0.598  0.796  1.0
  H  H19  1  0.598  0.796  0.376  1.0
  H  H20  1  0.796  0.376  0.598  1.0
  H  H21  1  0.489  0.563  0.156  1.0
  H  H22  1  0.563  0.156  0.489  1.0
  H  H23  1  0.156  0.489  0.563  1.0
  H  H24  1  0.511  0.437  0.844  1.0
  H  H25  1  0.437  0.844  0.511  1.0
  H  H26  1  0.844  0.511  0.437  1.0
  Br  Br27  1  0.847  0.153  0.274  1.0
  Br  Br28  1  0.153  0.274  0.847  1.0
  Br  Br29  1  0.274  0.847  0.153  1.0
  Br  Br30  1  0.153  0.847  0.726  1.0
  Br  Br31  1  0.847  0.726  0.153  1.0
  Br  Br32  1  0.726  0.153  0.847  1.0
  O  O33  1  0.143  0.189  0.444  1.0
  O  O34  1  0.189  0.444  0.143  1.0
  O  O35  1  0.444  0.143  0.189  1.0
  O  O36  1  0.857  0.811  0.556  1.0
  O  O37  1  0.811  0.556  0.857  1.0
  O  O38  1  0.556  0.857  0.811  1.0
  O  O39  1  0.508  0.445  0.200  1.0
  O  O40  1  0.445  0.200  0.508  1.0
  O  O41  1  0.200  0.508  0.445  1.0
  O  O42  1  0.492  0.555  0.800  1.0
  O  O43  1  0.555  0.800  0.492  1.0
  O  O44  1  0.800  0.492  0.555  1.0
[/CIF]
.