The material structure described by SrSn2O5Br6 crystallizes in the monoclinic C2/c space group. Sr(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Sn(1) is bonded in a distorted tetrahedral geometry to one O(2), one Br(1), one Br(2), and one Br(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Sr(1) and one O(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sr(1) and one Sn(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Sr(1) and two equivalent Br(3) atoms. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Sn(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Sn(1) atom. In the third Br site, Br(3) is bonded in a bent 120 degrees geometry to one Sn(1) and one O(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrSn2Br6O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.385
_cell_length_b   9.385
_cell_length_c   11.045
_cell_angle_alpha   72.207
_cell_angle_beta   72.207
_cell_angle_gamma   102.719
_symmetry_Int_Tables_number   1
_cell_volume   827.498
_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  0.879  0.121  0.750  1.0
  Sr  Sr1  1  0.121  0.879  0.250  1.0
  Sn  Sn2  1  0.630  0.787  0.411  1.0
  Sn  Sn3  1  0.370  0.213  0.589  1.0
  Sn  Sn4  1  0.213  0.370  0.089  1.0
  Sn  Sn5  1  0.787  0.630  0.911  1.0
  Br  Br6  1  0.367  0.582  0.590  1.0
  Br  Br7  1  0.633  0.418  0.410  1.0
  Br  Br8  1  0.418  0.633  0.910  1.0
  Br  Br9  1  0.582  0.367  0.090  1.0
  Br  Br10  1  0.343  0.029  0.464  1.0
  Br  Br11  1  0.657  0.971  0.536  1.0
  Br  Br12  1  0.971  0.657  0.036  1.0
  Br  Br13  1  0.029  0.343  0.964  1.0
  Br  Br14  1  0.477  0.128  0.791  1.0
  Br  Br15  1  0.523  0.872  0.209  1.0
  Br  Br16  1  0.872  0.523  0.709  1.0
  Br  Br17  1  0.128  0.477  0.291  1.0
  O  O18  1  0.934  0.006  0.006  1.0
  O  O19  1  0.066  0.994  0.994  1.0
  O  O20  1  0.994  0.066  0.494  1.0
  O  O21  1  0.006  0.934  0.506  1.0
  O  O22  1  0.789  0.841  0.830  1.0
  O  O23  1  0.211  0.159  0.170  1.0
  O  O24  1  0.159  0.211  0.670  1.0
  O  O25  1  0.841  0.789  0.330  1.0
  O  O26  1  0.699  0.301  0.750  1.0
  O  O27  1  0.301  0.699  0.250  1.0
[/CIF]
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The material structure described by SrSn2O5Br6 crystallizes in the monoclinic C2/c space group. Sr(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Sn(1) is bonded in a distorted tetrahedral geometry to one O(2), one Br(1), one Br(2), and one Br(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Sr(1) and one O(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sr(1) and one Sn(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Sr(1) and two equivalent Br(3) atoms. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Sn(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Sn(1) atom. In the third Br site, Br(3) is bonded in a bent 120 degrees geometry to one Sn(1) and one O(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrSn2Br6O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.385
_cell_length_b   9.385
_cell_length_c   11.045
_cell_angle_alpha   72.207
_cell_angle_beta   72.207
_cell_angle_gamma   102.719
_symmetry_Int_Tables_number   1
_cell_volume   827.498
_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  0.879  0.121  0.750  1.0
  Sr  Sr1  1  0.121  0.879  0.250  1.0
  Sn  Sn2  1  0.630  0.787  0.411  1.0
  Sn  Sn3  1  0.370  0.213  0.589  1.0
  Sn  Sn4  1  0.213  0.370  0.089  1.0
  Sn  Sn5  1  0.787  0.630  0.911  1.0
  Br  Br6  1  0.367  0.582  0.590  1.0
  Br  Br7  1  0.633  0.418  0.410  1.0
  Br  Br8  1  0.418  0.633  0.910  1.0
  Br  Br9  1  0.582  0.367  0.090  1.0
  Br  Br10  1  0.343  0.029  0.464  1.0
  Br  Br11  1  0.657  0.971  0.536  1.0
  Br  Br12  1  0.971  0.657  0.036  1.0
  Br  Br13  1  0.029  0.343  0.964  1.0
  Br  Br14  1  0.477  0.128  0.791  1.0
  Br  Br15  1  0.523  0.872  0.209  1.0
  Br  Br16  1  0.872  0.523  0.709  1.0
  Br  Br17  1  0.128  0.477  0.291  1.0
  O  O18  1  0.934  0.006  0.006  1.0
  O  O19  1  0.066  0.994  0.994  1.0
  O  O20  1  0.994  0.066  0.494  1.0
  O  O21  1  0.006  0.934  0.506  1.0
  O  O22  1  0.789  0.841  0.830  1.0
  O  O23  1  0.211  0.159  0.170  1.0
  O  O24  1  0.159  0.211  0.670  1.0
  O  O25  1  0.841  0.789  0.330  1.0
  O  O26  1  0.699  0.301  0.750  1.0
  O  O27  1  0.301  0.699  0.250  1.0
[/CIF]
.