The compound described by SrH2O7Br2 crystallizes in the monoclinic C2/c space group. Sr(1) is bonded in a 11-coordinate geometry to one O(1), two equivalent O(3), four equivalent O(2), and four equivalent O(4) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Sr(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Br(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Sr(1) and one Br(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1) and one Br(1) atom. Br(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. is represented by the CIF file [CIF]
data_SrH2Br2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.611
_cell_length_b   7.611
_cell_length_c   9.005
_cell_angle_alpha   54.111
_cell_angle_beta   54.111
_cell_angle_gamma   61.584
_symmetry_Int_Tables_number   1
_cell_volume   335.367
_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  0.649  0.351  0.750  1.0
  Sr  Sr1  1  0.351  0.649  0.250  1.0
  H  H2  1  0.285  0.783  0.635  1.0
  H  H3  1  0.217  0.715  0.865  1.0
  H  H4  1  0.715  0.217  0.365  1.0
  H  H5  1  0.783  0.285  0.135  1.0
  Br  Br6  1  0.214  0.170  0.805  1.0
  Br  Br7  1  0.830  0.786  0.695  1.0
  Br  Br8  1  0.786  0.830  0.195  1.0
  Br  Br9  1  0.170  0.214  0.305  1.0
  O  O10  1  0.324  0.676  0.750  1.0
  O  O11  1  0.676  0.324  0.250  1.0
  O  O12  1  0.099  0.277  0.487  1.0
  O  O13  1  0.723  0.901  0.013  1.0
  O  O14  1  0.901  0.723  0.513  1.0
  O  O15  1  0.277  0.099  0.987  1.0
  O  O16  1  0.255  0.933  0.400  1.0
  O  O17  1  0.067  0.745  0.100  1.0
  O  O18  1  0.745  0.067  0.600  1.0
  O  O19  1  0.933  0.255  0.900  1.0
  O  O20  1  0.404  0.310  0.122  1.0
  O  O21  1  0.690  0.596  0.378  1.0
  O  O22  1  0.596  0.690  0.878  1.0
  O  O23  1  0.310  0.404  0.622  1.0
[/CIF]
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The compound described by SrH2O7Br2 crystallizes in the monoclinic C2/c space group. Sr(1) is bonded in a 11-coordinate geometry to one O(1), two equivalent O(3), four equivalent O(2), and four equivalent O(4) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Sr(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Br(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Sr(1) and one Br(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1) and one Br(1) atom. Br(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. is represented by the CIF file [CIF]
data_SrH2Br2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.611
_cell_length_b   7.611
_cell_length_c   9.005
_cell_angle_alpha   54.111
_cell_angle_beta   54.111
_cell_angle_gamma   61.584
_symmetry_Int_Tables_number   1
_cell_volume   335.367
_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  0.649  0.351  0.750  1.0
  Sr  Sr1  1  0.351  0.649  0.250  1.0
  H  H2  1  0.285  0.783  0.635  1.0
  H  H3  1  0.217  0.715  0.865  1.0
  H  H4  1  0.715  0.217  0.365  1.0
  H  H5  1  0.783  0.285  0.135  1.0
  Br  Br6  1  0.214  0.170  0.805  1.0
  Br  Br7  1  0.830  0.786  0.695  1.0
  Br  Br8  1  0.786  0.830  0.195  1.0
  Br  Br9  1  0.170  0.214  0.305  1.0
  O  O10  1  0.324  0.676  0.750  1.0
  O  O11  1  0.676  0.324  0.250  1.0
  O  O12  1  0.099  0.277  0.487  1.0
  O  O13  1  0.723  0.901  0.013  1.0
  O  O14  1  0.901  0.723  0.513  1.0
  O  O15  1  0.277  0.099  0.987  1.0
  O  O16  1  0.255  0.933  0.400  1.0
  O  O17  1  0.067  0.745  0.100  1.0
  O  O18  1  0.745  0.067  0.600  1.0
  O  O19  1  0.933  0.255  0.900  1.0
  O  O20  1  0.404  0.310  0.122  1.0
  O  O21  1  0.690  0.596  0.378  1.0
  O  O22  1  0.596  0.690  0.878  1.0
  O  O23  1  0.310  0.404  0.622  1.0
[/CIF]
.