The material described by H2OH7O3H5(OBr)2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one molecular hydrogen;trihydrate molecule, one water molecule, and one H5(OBr)2 cluster. In the H5(OBr)2 cluster, there are five inequivalent H sites. In the first H site, H(5) is bonded in a single-bond geometry to one O(3) and one Br(1) atom. In the second H site, H(6) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(7) is bonded in a linear geometry to one O(3) and one O(4) atom. In the fourth H site, H(8) is bonded in a single-bond geometry to one O(4) and one Br(2) atom. In the fifth H site, H(9) is bonded in a distorted single-bond geometry to one O(4) atom. There are two inequivalent O sites. In the first O site, O(3) is bonded in a trigonal non-coplanar geometry to one H(5), one H(6), and one H(7) atom. In the second O site, O(4) is bonded in a trigonal planar geometry to one H(7), one H(8), and one H(9) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one H(5) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one H(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_H7BrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.216
_cell_length_b   6.317
_cell_length_c   6.515
_cell_angle_alpha   86.159
_cell_angle_beta   65.910
_cell_angle_gamma   88.414
_symmetry_Int_Tables_number   1
_cell_volume   232.992
_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
  H  H0  1  0.784  0.473  0.190  1.0
  H  H1  1  0.041  0.503  0.180  1.0
  H  H2  1  0.311  0.900  0.364  1.0
  H  H3  1  0.472  0.049  0.156  1.0
  H  H4  1  0.558  0.728  0.708  1.0
  H  H5  1  0.703  0.711  0.441  1.0
  H  H6  1  0.714  0.999  0.557  1.0
  H  H7  1  0.858  0.135  0.690  1.0
  H  H8  1  0.831  0.268  0.460  1.0
  H  H9  1  0.080  0.748  0.702  1.0
  H  H10  1  0.990  0.651  0.535  1.0
  H  H11  1  0.268  0.244  0.705  1.0
  H  H12  1  0.270  0.453  0.544  1.0
  H  H13  1  0.344  0.196  0.432  1.0
  Br  Br14  1  0.461  0.541  0.011  1.0
  Br  Br15  1  0.972  0.035  0.942  1.0
  O  O16  1  0.871  0.486  0.286  1.0
  O  O17  1  0.334  0.049  0.299  1.0
  O  O18  1  0.615  0.812  0.557  1.0
  O  O19  1  0.775  0.152  0.584  1.0
  O  O20  1  0.132  0.671  0.561  1.0
  O  O21  1  0.353  0.312  0.550  1.0
[/CIF]
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The material described by H2OH7O3H5(OBr)2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one molecular hydrogen;trihydrate molecule, one water molecule, and one H5(OBr)2 cluster. In the H5(OBr)2 cluster, there are five inequivalent H sites. In the first H site, H(5) is bonded in a single-bond geometry to one O(3) and one Br(1) atom. In the second H site, H(6) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(7) is bonded in a linear geometry to one O(3) and one O(4) atom. In the fourth H site, H(8) is bonded in a single-bond geometry to one O(4) and one Br(2) atom. In the fifth H site, H(9) is bonded in a distorted single-bond geometry to one O(4) atom. There are two inequivalent O sites. In the first O site, O(3) is bonded in a trigonal non-coplanar geometry to one H(5), one H(6), and one H(7) atom. In the second O site, O(4) is bonded in a trigonal planar geometry to one H(7), one H(8), and one H(9) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one H(5) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one H(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_H7BrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.216
_cell_length_b   6.317
_cell_length_c   6.515
_cell_angle_alpha   86.159
_cell_angle_beta   65.910
_cell_angle_gamma   88.414
_symmetry_Int_Tables_number   1
_cell_volume   232.992
_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
  H  H0  1  0.784  0.473  0.190  1.0
  H  H1  1  0.041  0.503  0.180  1.0
  H  H2  1  0.311  0.900  0.364  1.0
  H  H3  1  0.472  0.049  0.156  1.0
  H  H4  1  0.558  0.728  0.708  1.0
  H  H5  1  0.703  0.711  0.441  1.0
  H  H6  1  0.714  0.999  0.557  1.0
  H  H7  1  0.858  0.135  0.690  1.0
  H  H8  1  0.831  0.268  0.460  1.0
  H  H9  1  0.080  0.748  0.702  1.0
  H  H10  1  0.990  0.651  0.535  1.0
  H  H11  1  0.268  0.244  0.705  1.0
  H  H12  1  0.270  0.453  0.544  1.0
  H  H13  1  0.344  0.196  0.432  1.0
  Br  Br14  1  0.461  0.541  0.011  1.0
  Br  Br15  1  0.972  0.035  0.942  1.0
  O  O16  1  0.871  0.486  0.286  1.0
  O  O17  1  0.334  0.049  0.299  1.0
  O  O18  1  0.615  0.812  0.557  1.0
  O  O19  1  0.775  0.152  0.584  1.0
  O  O20  1  0.132  0.671  0.561  1.0
  O  O21  1  0.353  0.312  0.550  1.0
[/CIF]
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