The material described by RbMgO4Br3O2 crystallizes in the monoclinic C2/c space group. The structure consists of four hydrogen peroxide molecules inside a RbMgO4Br3 framework. In the RbMgO4Br3 framework, Rb(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent Br(2) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Rb(1), one Mg(1), and one Br(1) atom. In the second O site, O(3) is bonded in a 3-coordinate geometry to one Rb(1), one Mg(1), and one Br(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Rb(1) and one O(3) atom. is represented by the CIF card [CIF]
data_RbMg(BrO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.760
_cell_length_b   6.760
_cell_length_c   13.540
_cell_angle_alpha   87.498
_cell_angle_beta   87.498
_cell_angle_gamma   111.969
_symmetry_Int_Tables_number   1
_cell_volume   572.145
_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  0.685  0.315  0.750  1.0
  Rb  Rb1  1  0.315  0.685  0.250  1.0
  Mg  Mg2  1  0.000  0.500  0.000  1.0
  Mg  Mg3  1  0.500  0.000  0.500  1.0
  Br  Br4  1  0.500  0.000  0.000  1.0
  Br  Br5  1  0.000  0.500  0.500  1.0
  Br  Br6  1  0.177  0.316  0.792  1.0
  Br  Br7  1  0.684  0.823  0.708  1.0
  Br  Br8  1  0.823  0.684  0.208  1.0
  Br  Br9  1  0.316  0.177  0.292  1.0
  O  O10  1  0.944  0.920  0.979  1.0
  O  O11  1  0.080  0.056  0.521  1.0
  O  O12  1  0.056  0.080  0.021  1.0
  O  O13  1  0.920  0.944  0.479  1.0
  O  O14  1  0.293  0.721  0.011  1.0
  O  O15  1  0.279  0.707  0.489  1.0
  O  O16  1  0.707  0.279  0.989  1.0
  O  O17  1  0.721  0.293  0.511  1.0
  O  O18  1  0.944  0.521  0.146  1.0
  O  O19  1  0.479  0.056  0.354  1.0
  O  O20  1  0.056  0.479  0.854  1.0
  O  O21  1  0.521  0.944  0.646  1.0
[/CIF]
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The material described by RbMgO4Br3O2 crystallizes in the monoclinic C2/c space group. The structure consists of four hydrogen peroxide molecules inside a RbMgO4Br3 framework. In the RbMgO4Br3 framework, Rb(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent Br(2) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Rb(1), one Mg(1), and one Br(1) atom. In the second O site, O(3) is bonded in a 3-coordinate geometry to one Rb(1), one Mg(1), and one Br(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Rb(1) and one O(3) atom. is represented by the CIF card [CIF]
data_RbMg(BrO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.760
_cell_length_b   6.760
_cell_length_c   13.540
_cell_angle_alpha   87.498
_cell_angle_beta   87.498
_cell_angle_gamma   111.969
_symmetry_Int_Tables_number   1
_cell_volume   572.145
_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  0.685  0.315  0.750  1.0
  Rb  Rb1  1  0.315  0.685  0.250  1.0
  Mg  Mg2  1  0.000  0.500  0.000  1.0
  Mg  Mg3  1  0.500  0.000  0.500  1.0
  Br  Br4  1  0.500  0.000  0.000  1.0
  Br  Br5  1  0.000  0.500  0.500  1.0
  Br  Br6  1  0.177  0.316  0.792  1.0
  Br  Br7  1  0.684  0.823  0.708  1.0
  Br  Br8  1  0.823  0.684  0.208  1.0
  Br  Br9  1  0.316  0.177  0.292  1.0
  O  O10  1  0.944  0.920  0.979  1.0
  O  O11  1  0.080  0.056  0.521  1.0
  O  O12  1  0.056  0.080  0.021  1.0
  O  O13  1  0.920  0.944  0.479  1.0
  O  O14  1  0.293  0.721  0.011  1.0
  O  O15  1  0.279  0.707  0.489  1.0
  O  O16  1  0.707  0.279  0.989  1.0
  O  O17  1  0.721  0.293  0.511  1.0
  O  O18  1  0.944  0.521  0.146  1.0
  O  O19  1  0.479  0.056  0.354  1.0
  O  O20  1  0.056  0.479  0.854  1.0
  O  O21  1  0.521  0.944  0.646  1.0
[/CIF]
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