The compound described by LaO7Br3 crystallizes in the triclinic P-1 space group. La(1) is bonded in a distorted pentagonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one La(1) and one O(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one La(1) and one Br(2) 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 distorted trigonal planar geometry to one La(1), one Br(1), and one Br(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one La(1), one Br(2), and one Br(3) atom. In the sixth O site, O(6) is bonded in a linear geometry to one La(1) and one Br(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one La(1) and one Br(3) atom. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted T-shaped geometry to one O(3), one O(4), and one O(6) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one O(2) and one O(5) atom. In the third Br site, Br(3) is bonded in a T-shaped geometry to one O(4), 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   6.958
_cell_length_b   7.627
_cell_length_c   7.972
_cell_angle_alpha   83.967
_cell_angle_beta   74.980
_cell_angle_gamma   89.219
_symmetry_Int_Tables_number   1
_cell_volume   406.295
_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  0.190  0.727  0.233  1.0
  La  La1  1  0.810  0.273  0.767  1.0
  Br  Br2  1  0.656  0.492  0.243  1.0
  Br  Br3  1  0.344  0.508  0.757  1.0
  Br  Br4  1  0.695  0.957  0.286  1.0
  Br  Br5  1  0.305  0.043  0.714  1.0
  Br  Br6  1  0.174  0.212  0.295  1.0
  Br  Br7  1  0.826  0.788  0.705  1.0
  O  O8  1  0.466  0.925  0.988  1.0
  O  O9  1  0.534  0.075  0.012  1.0
  O  O10  1  0.474  0.823  0.327  1.0
  O  O11  1  0.526  0.177  0.673  1.0
  O  O12  1  0.282  0.614  0.942  1.0
  O  O13  1  0.718  0.386  0.058  1.0
  O  O14  1  0.304  0.441  0.304  1.0
  O  O15  1  0.696  0.559  0.696  1.0
  O  O16  1  0.062  0.038  0.205  1.0
  O  O17  1  0.938  0.962  0.795  1.0
  O  O18  1  0.875  0.594  0.248  1.0
  O  O19  1  0.125  0.406  0.752  1.0
  O  O20  1  0.034  0.758  0.538  1.0
  O  O21  1  0.966  0.242  0.462  1.0
[/CIF]
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The compound described by LaO7Br3 crystallizes in the triclinic P-1 space group. La(1) is bonded in a distorted pentagonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one La(1) and one O(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one La(1) and one Br(2) 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 distorted trigonal planar geometry to one La(1), one Br(1), and one Br(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one La(1), one Br(2), and one Br(3) atom. In the sixth O site, O(6) is bonded in a linear geometry to one La(1) and one Br(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one La(1) and one Br(3) atom. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted T-shaped geometry to one O(3), one O(4), and one O(6) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one O(2) and one O(5) atom. In the third Br site, Br(3) is bonded in a T-shaped geometry to one O(4), 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   6.958
_cell_length_b   7.627
_cell_length_c   7.972
_cell_angle_alpha   83.967
_cell_angle_beta   74.980
_cell_angle_gamma   89.219
_symmetry_Int_Tables_number   1
_cell_volume   406.295
_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  0.190  0.727  0.233  1.0
  La  La1  1  0.810  0.273  0.767  1.0
  Br  Br2  1  0.656  0.492  0.243  1.0
  Br  Br3  1  0.344  0.508  0.757  1.0
  Br  Br4  1  0.695  0.957  0.286  1.0
  Br  Br5  1  0.305  0.043  0.714  1.0
  Br  Br6  1  0.174  0.212  0.295  1.0
  Br  Br7  1  0.826  0.788  0.705  1.0
  O  O8  1  0.466  0.925  0.988  1.0
  O  O9  1  0.534  0.075  0.012  1.0
  O  O10  1  0.474  0.823  0.327  1.0
  O  O11  1  0.526  0.177  0.673  1.0
  O  O12  1  0.282  0.614  0.942  1.0
  O  O13  1  0.718  0.386  0.058  1.0
  O  O14  1  0.304  0.441  0.304  1.0
  O  O15  1  0.696  0.559  0.696  1.0
  O  O16  1  0.062  0.038  0.205  1.0
  O  O17  1  0.938  0.962  0.795  1.0
  O  O18  1  0.875  0.594  0.248  1.0
  O  O19  1  0.125  0.406  0.752  1.0
  O  O20  1  0.034  0.758  0.538  1.0
  O  O21  1  0.966  0.242  0.462  1.0
[/CIF]
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