The crystal structure described by SrO7Br2 crystallizes in the monoclinic C2/c space group. Sr(1) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(2), four equivalent O(1), and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Br(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Sr(1) and one Br(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1) and one Br(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Sr(1) atom. Br(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. is represented by the CIF file [CIF]
data_SrBr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.337
_cell_length_b   7.337
_cell_length_c   8.665
_cell_angle_alpha   56.936
_cell_angle_beta   56.936
_cell_angle_gamma   64.789
_symmetry_Int_Tables_number   1
_cell_volume   322.054
_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
  Sr  Sr0  1  0.341  0.659  0.250  1.0
  Sr  Sr1  1  0.659  0.341  0.750  1.0
  Br  Br2  1  0.787  0.827  0.200  1.0
  Br  Br3  1  0.827  0.787  0.700  1.0
  Br  Br4  1  0.213  0.173  0.800  1.0
  Br  Br5  1  0.173  0.213  0.300  1.0
  O  O6  1  0.716  0.898  0.016  1.0
  O  O7  1  0.898  0.716  0.516  1.0
  O  O8  1  0.284  0.102  0.984  1.0
  O  O9  1  0.102  0.284  0.484  1.0
  O  O10  1  0.064  0.743  0.107  1.0
  O  O11  1  0.743  0.064  0.607  1.0
  O  O12  1  0.936  0.257  0.893  1.0
  O  O13  1  0.257  0.936  0.393  1.0
  O  O14  1  0.684  0.591  0.375  1.0
  O  O15  1  0.591  0.684  0.875  1.0
  O  O16  1  0.316  0.409  0.625  1.0
  O  O17  1  0.409  0.316  0.125  1.0
  O  O18  1  0.680  0.320  0.250  1.0
  O  O19  1  0.320  0.680  0.750  1.0
[/CIF]
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The crystal structure described by SrO7Br2 crystallizes in the monoclinic C2/c space group. Sr(1) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(2), four equivalent O(1), and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Br(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Sr(1) and one Br(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1) and one Br(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Sr(1) atom. Br(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. is represented by the CIF file [CIF]
data_SrBr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.337
_cell_length_b   7.337
_cell_length_c   8.665
_cell_angle_alpha   56.936
_cell_angle_beta   56.936
_cell_angle_gamma   64.789
_symmetry_Int_Tables_number   1
_cell_volume   322.054
_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
  Sr  Sr0  1  0.341  0.659  0.250  1.0
  Sr  Sr1  1  0.659  0.341  0.750  1.0
  Br  Br2  1  0.787  0.827  0.200  1.0
  Br  Br3  1  0.827  0.787  0.700  1.0
  Br  Br4  1  0.213  0.173  0.800  1.0
  Br  Br5  1  0.173  0.213  0.300  1.0
  O  O6  1  0.716  0.898  0.016  1.0
  O  O7  1  0.898  0.716  0.516  1.0
  O  O8  1  0.284  0.102  0.984  1.0
  O  O9  1  0.102  0.284  0.484  1.0
  O  O10  1  0.064  0.743  0.107  1.0
  O  O11  1  0.743  0.064  0.607  1.0
  O  O12  1  0.936  0.257  0.893  1.0
  O  O13  1  0.257  0.936  0.393  1.0
  O  O14  1  0.684  0.591  0.375  1.0
  O  O15  1  0.591  0.684  0.875  1.0
  O  O16  1  0.316  0.409  0.625  1.0
  O  O17  1  0.409  0.316  0.125  1.0
  O  O18  1  0.680  0.320  0.250  1.0
  O  O19  1  0.320  0.680  0.750  1.0
[/CIF]
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