The material structure described by Sr(O3Br)2 crystallizes in the monoclinic Cc space group. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Sr(1) and one Br(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and one Br(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sr(1) and one Br(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Br(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and one Br(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Sr(1) and one Br(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second Br site, Br(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.427
_cell_length_b   6.992
_cell_length_c   6.992
_cell_angle_alpha   114.241
_cell_angle_beta   74.151
_cell_angle_gamma   74.151
_symmetry_Int_Tables_number   1
_cell_volume   286.146
_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  0.996  0.381  0.630  1.0
  Sr  Sr1  1  0.496  0.630  0.381  1.0
  Br  Br2  1  0.952  0.783  0.411  1.0
  Br  Br3  1  0.452  0.411  0.783  1.0
  Br  Br4  1  0.025  0.100  0.975  1.0
  Br  Br5  1  0.525  0.975  0.100  1.0
  O  O6  1  0.128  0.614  0.450  1.0
  O  O7  1  0.628  0.450  0.614  1.0
  O  O8  1  0.238  0.540  0.766  1.0
  O  O9  1  0.738  0.766  0.540  1.0
  O  O10  1  0.909  0.049  0.601  1.0
  O  O11  1  0.409  0.601  0.049  1.0
  O  O12  1  0.893  0.372  0.038  1.0
  O  O13  1  0.393  0.038  0.372  1.0
  O  O14  1  0.757  0.771  0.019  1.0
  O  O15  1  0.257  0.019  0.771  1.0
  O  O16  1  0.069  0.138  0.205  1.0
  O  O17  1  0.569  0.205  0.138  1.0
[/CIF]
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The material structure described by Sr(O3Br)2 crystallizes in the monoclinic Cc space group. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Sr(1) and one Br(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and one Br(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sr(1) and one Br(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Br(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and one Br(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Sr(1) and one Br(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second Br site, Br(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.427
_cell_length_b   6.992
_cell_length_c   6.992
_cell_angle_alpha   114.241
_cell_angle_beta   74.151
_cell_angle_gamma   74.151
_symmetry_Int_Tables_number   1
_cell_volume   286.146
_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  0.996  0.381  0.630  1.0
  Sr  Sr1  1  0.496  0.630  0.381  1.0
  Br  Br2  1  0.952  0.783  0.411  1.0
  Br  Br3  1  0.452  0.411  0.783  1.0
  Br  Br4  1  0.025  0.100  0.975  1.0
  Br  Br5  1  0.525  0.975  0.100  1.0
  O  O6  1  0.128  0.614  0.450  1.0
  O  O7  1  0.628  0.450  0.614  1.0
  O  O8  1  0.238  0.540  0.766  1.0
  O  O9  1  0.738  0.766  0.540  1.0
  O  O10  1  0.909  0.049  0.601  1.0
  O  O11  1  0.409  0.601  0.049  1.0
  O  O12  1  0.893  0.372  0.038  1.0
  O  O13  1  0.393  0.038  0.372  1.0
  O  O14  1  0.757  0.771  0.019  1.0
  O  O15  1  0.257  0.019  0.771  1.0
  O  O16  1  0.069  0.138  0.205  1.0
  O  O17  1  0.569  0.205  0.138  1.0
[/CIF]
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