The compound described by Mg(H2O)6(Br)2 is Indium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydrogen bromide atoms and two Mg(H2O)6 clusters. In each Mg(H2O)6 cluster, Mg(1) is bonded in an octahedral geometry to two equivalent O(1) and four 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(2) 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(1) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(2), and one H(3) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(1), and one H(4) atom. is represented by the CIF file [CIF]
data_MgH12(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.303
_cell_length_b   6.496
_cell_length_c   6.496
_cell_angle_alpha   71.123
_cell_angle_beta   87.029
_cell_angle_gamma   87.029
_symmetry_Int_Tables_number   1
_cell_volume   251.113
_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  0.000  0.500  0.500  1.0
  H  H1  1  0.245  0.271  0.271  1.0
  H  H2  1  0.755  0.729  0.729  1.0
  H  H3  1  0.260  0.187  0.771  1.0
  H  H4  1  0.260  0.771  0.187  1.0
  H  H5  1  0.740  0.813  0.229  1.0
  H  H6  1  0.740  0.229  0.813  1.0
  H  H7  1  0.313  0.416  0.796  1.0
  H  H8  1  0.313  0.796  0.416  1.0
  H  H9  1  0.687  0.584  0.204  1.0
  H  H10  1  0.687  0.204  0.584  1.0
  H  H11  1  0.996  0.247  0.247  1.0
  H  H12  1  0.004  0.753  0.753  1.0
  Br  Br13  1  0.618  0.181  0.181  1.0
  Br  Br14  1  0.382  0.819  0.819  1.0
  O  O15  1  0.101  0.312  0.312  1.0
  O  O16  1  0.899  0.688  0.688  1.0
  O  O17  1  0.213  0.342  0.737  1.0
  O  O18  1  0.213  0.737  0.342  1.0
  O  O19  1  0.787  0.658  0.263  1.0
  O  O20  1  0.787  0.263  0.658  1.0
[/CIF]
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The compound described by Mg(H2O)6(Br)2 is Indium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydrogen bromide atoms and two Mg(H2O)6 clusters. In each Mg(H2O)6 cluster, Mg(1) is bonded in an octahedral geometry to two equivalent O(1) and four 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(2) 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(1) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(2), and one H(3) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(1), and one H(4) atom. is represented by the CIF file [CIF]
data_MgH12(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.303
_cell_length_b   6.496
_cell_length_c   6.496
_cell_angle_alpha   71.123
_cell_angle_beta   87.029
_cell_angle_gamma   87.029
_symmetry_Int_Tables_number   1
_cell_volume   251.113
_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  0.000  0.500  0.500  1.0
  H  H1  1  0.245  0.271  0.271  1.0
  H  H2  1  0.755  0.729  0.729  1.0
  H  H3  1  0.260  0.187  0.771  1.0
  H  H4  1  0.260  0.771  0.187  1.0
  H  H5  1  0.740  0.813  0.229  1.0
  H  H6  1  0.740  0.229  0.813  1.0
  H  H7  1  0.313  0.416  0.796  1.0
  H  H8  1  0.313  0.796  0.416  1.0
  H  H9  1  0.687  0.584  0.204  1.0
  H  H10  1  0.687  0.204  0.584  1.0
  H  H11  1  0.996  0.247  0.247  1.0
  H  H12  1  0.004  0.753  0.753  1.0
  Br  Br13  1  0.618  0.181  0.181  1.0
  Br  Br14  1  0.382  0.819  0.819  1.0
  O  O15  1  0.101  0.312  0.312  1.0
  O  O16  1  0.899  0.688  0.688  1.0
  O  O17  1  0.213  0.342  0.737  1.0
  O  O18  1  0.213  0.737  0.342  1.0
  O  O19  1  0.787  0.658  0.263  1.0
  O  O20  1  0.787  0.263  0.658  1.0
[/CIF]
.