The compound described by (La(O2Br)3)2O2 crystallizes in the triclinic P-1 space group. The structure consists of one hydrogen peroxide molecule inside a La(O2Br)3 framework. In the La(O2Br)3 framework, La(1) is bonded in a distorted octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one La(1) and one Br(3) atom. In the second O site, O(2) is bonded in a linear geometry to one La(1) and one Br(1) atom. In the third O site, O(3) is bonded in a linear geometry to one La(1) and one Br(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one La(1) and one Br(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one La(1) and one Br(3) atom. In the sixth O site, O(7) is bonded in a trigonal planar geometry to one La(1), one Br(2), and one Br(3) atom. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to one O(2) and one O(3) atom. In the second Br site, Br(2) is bonded in a bent 150 degrees geometry to one O(4) and one O(7) atom. In the third Br site, Br(3) is bonded in a T-shaped geometry to one O(1), one O(5), and one O(7) atom. is represented by the CIF file [CIF]
data_LaBr3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.846
_cell_length_b   8.277
_cell_length_c   8.052
_cell_angle_alpha   97.479
_cell_angle_beta   91.419
_cell_angle_gamma   77.674
_symmetry_Int_Tables_number   1
_cell_volume   441.944
_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
  La  La0  1  0.802  0.737  0.785  1.0
  La  La1  1  0.198  0.263  0.215  1.0
  Br  Br2  1  0.331  0.774  0.017  1.0
  Br  Br3  1  0.669  0.226  0.983  1.0
  Br  Br4  1  0.275  0.657  0.551  1.0
  Br  Br5  1  0.725  0.343  0.449  1.0
  Br  Br6  1  0.156  0.301  0.727  1.0
  Br  Br7  1  0.844  0.699  0.273  1.0
  O  O8  1  0.938  0.440  0.789  1.0
  O  O9  1  0.062  0.560  0.211  1.0
  O  O10  1  0.117  0.764  0.901  1.0
  O  O11  1  0.883  0.236  0.099  1.0
  O  O12  1  0.703  0.027  0.878  1.0
  O  O13  1  0.297  0.973  0.122  1.0
  O  O14  1  0.533  0.639  0.635  1.0
  O  O15  1  0.467  0.361  0.365  1.0
  O  O16  1  0.711  0.701  0.077  1.0
  O  O17  1  0.289  0.299  0.923  1.0
  O  O18  1  0.509  0.013  0.577  1.0
  O  O19  1  0.491  0.987  0.423  1.0
  O  O20  1  0.969  0.731  0.524  1.0
  O  O21  1  0.031  0.269  0.476  1.0
[/CIF]
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The compound described by (La(O2Br)3)2O2 crystallizes in the triclinic P-1 space group. The structure consists of one hydrogen peroxide molecule inside a La(O2Br)3 framework. In the La(O2Br)3 framework, La(1) is bonded in a distorted octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one La(1) and one Br(3) atom. In the second O site, O(2) is bonded in a linear geometry to one La(1) and one Br(1) atom. In the third O site, O(3) is bonded in a linear geometry to one La(1) and one Br(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one La(1) and one Br(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one La(1) and one Br(3) atom. In the sixth O site, O(7) is bonded in a trigonal planar geometry to one La(1), one Br(2), and one Br(3) atom. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to one O(2) and one O(3) atom. In the second Br site, Br(2) is bonded in a bent 150 degrees geometry to one O(4) and one O(7) atom. In the third Br site, Br(3) is bonded in a T-shaped geometry to one O(1), one O(5), and one O(7) atom. is represented by the CIF file [CIF]
data_LaBr3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.846
_cell_length_b   8.277
_cell_length_c   8.052
_cell_angle_alpha   97.479
_cell_angle_beta   91.419
_cell_angle_gamma   77.674
_symmetry_Int_Tables_number   1
_cell_volume   441.944
_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
  La  La0  1  0.802  0.737  0.785  1.0
  La  La1  1  0.198  0.263  0.215  1.0
  Br  Br2  1  0.331  0.774  0.017  1.0
  Br  Br3  1  0.669  0.226  0.983  1.0
  Br  Br4  1  0.275  0.657  0.551  1.0
  Br  Br5  1  0.725  0.343  0.449  1.0
  Br  Br6  1  0.156  0.301  0.727  1.0
  Br  Br7  1  0.844  0.699  0.273  1.0
  O  O8  1  0.938  0.440  0.789  1.0
  O  O9  1  0.062  0.560  0.211  1.0
  O  O10  1  0.117  0.764  0.901  1.0
  O  O11  1  0.883  0.236  0.099  1.0
  O  O12  1  0.703  0.027  0.878  1.0
  O  O13  1  0.297  0.973  0.122  1.0
  O  O14  1  0.533  0.639  0.635  1.0
  O  O15  1  0.467  0.361  0.365  1.0
  O  O16  1  0.711  0.701  0.077  1.0
  O  O17  1  0.289  0.299  0.923  1.0
  O  O18  1  0.509  0.013  0.577  1.0
  O  O19  1  0.491  0.987  0.423  1.0
  O  O20  1  0.969  0.731  0.524  1.0
  O  O21  1  0.031  0.269  0.476  1.0
[/CIF]
.