data_SrBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   9.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBr3
_chemical_formula_sum   'Sr1 Br3'
_cell_volume   141.46
_cell_formula_units_Z   1
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  Sr3  1  0.0  0.0  0.79  1.0
  Br  Br0  1  0.92  0.92  0.08  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.92  0.92  0.5  1.0

data_SrBr3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   9.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrBr3
_chemical_formula_sum   'Sr2 Br6'
_cell_volume   282.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.79  1.0
  Br  Br1  2  0.0  0.0  0.0  1.0
  Br  Br2  2  0.42  0.5  0.08  1.0
  Br  Br3  2  0.42  0.5  0.5  1.0

Sr Br Br Br
Sr Br Br Br 0 2 o o + 0 3 - - o 1 2 + + o 
SrBr3 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two SrBr3 clusters. Sr(1) is bonded in a distorted linear geometry to one Br(2) and one Br(3) atom. The Sr(1)-Br(2) bond length is 2.01 Å. The Sr(1)-Br(3) bond length is 2.77 Å. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Br(2) atom. The Br(1)-Br(2) bond length is 0.84 Å. In the second Br site, Br(2) is bonded in a bent 150 degrees geometry to one Sr(1) and one Br(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Sr(1) atom.