The structure described by Rb2HOBr crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 1-coordinate geometry to one O(1) and three equivalent Br(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to two equivalent H(1), two equivalent O(1), and four equivalent Br(1) atoms. H(1) is bonded in a single-bond geometry to two equivalent Rb(2) and one O(1) atom. O(1) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one H(1) atom. Br(1) is bonded in a 7-coordinate geometry to three equivalent Rb(1) and four equivalent Rb(2) atoms. is represented by the CIF card [CIF]
data_Rb2HBrO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.479
_cell_length_b   6.941
_cell_length_c   8.907
_cell_angle_alpha   71.996
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.383
_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
  Rb  Rb0  1  0.750  0.715  0.037  1.0
  Rb  Rb1  1  0.250  0.293  0.382  1.0
  Rb  Rb2  1  0.750  0.707  0.618  1.0
  Rb  Rb3  1  0.250  0.285  0.963  1.0
  H  H4  1  0.250  0.836  0.793  1.0
  H  H5  1  0.750  0.164  0.207  1.0
  Br  Br6  1  0.250  0.824  0.302  1.0
  Br  Br7  1  0.750  0.176  0.698  1.0
  O  O8  1  0.250  0.690  0.831  1.0
  O  O9  1  0.750  0.310  0.169  1.0
[/CIF]
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The structure described by Rb2HOBr crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 1-coordinate geometry to one O(1) and three equivalent Br(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to two equivalent H(1), two equivalent O(1), and four equivalent Br(1) atoms. H(1) is bonded in a single-bond geometry to two equivalent Rb(2) and one O(1) atom. O(1) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one H(1) atom. Br(1) is bonded in a 7-coordinate geometry to three equivalent Rb(1) and four equivalent Rb(2) atoms. is represented by the CIF card [CIF]
data_Rb2HBrO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.479
_cell_length_b   6.941
_cell_length_c   8.907
_cell_angle_alpha   71.996
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.383
_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
  Rb  Rb0  1  0.750  0.715  0.037  1.0
  Rb  Rb1  1  0.250  0.293  0.382  1.0
  Rb  Rb2  1  0.750  0.707  0.618  1.0
  Rb  Rb3  1  0.250  0.285  0.963  1.0
  H  H4  1  0.250  0.836  0.793  1.0
  H  H5  1  0.750  0.164  0.207  1.0
  Br  Br6  1  0.250  0.824  0.302  1.0
  Br  Br7  1  0.750  0.176  0.698  1.0
  O  O8  1  0.250  0.690  0.831  1.0
  O  O9  1  0.750  0.310  0.169  1.0
[/CIF]
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