The compound described by CsSrBr3 crystallizes in the monoclinic P2_1 space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Br(3), three equivalent Br(1), and three equivalent Br(2) atoms. Sr(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form a mixture of corner and edge-sharing SrBr6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Sr(1) atoms. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Sr(1) atoms. In the third Br site, Br(3) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and two equivalent Sr(1) atoms. is represented by the CIF card [CIF]
data_CsSrBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.554
_cell_length_b   7.889
_cell_length_c   11.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.798
_symmetry_Int_Tables_number   1
_cell_volume   397.175
_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
  Cs  Cs0  1  0.253  0.506  0.010  1.0
  Cs  Cs1  1  0.747  0.494  0.510  1.0
  Sr  Sr2  1  0.001  0.000  0.759  1.0
  Sr  Sr3  1  0.999  1.000  0.259  1.0
  Br  Br4  1  0.369  0.735  0.712  1.0
  Br  Br5  1  0.631  0.265  0.212  1.0
  Br  Br6  1  0.367  0.735  0.307  1.0
  Br  Br7  1  0.633  0.265  0.807  1.0
  Br  Br8  1  0.943  0.881  0.009  1.0
  Br  Br9  1  0.057  0.119  0.509  1.0
[/CIF]
.
The compound described by CsSrBr3 crystallizes in the monoclinic P2_1 space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Br(3), three equivalent Br(1), and three equivalent Br(2) atoms. Sr(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form a mixture of corner and edge-sharing SrBr6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Sr(1) atoms. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Sr(1) atoms. In the third Br site, Br(3) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and two equivalent Sr(1) atoms. is represented by the CIF card [CIF]
data_CsSrBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.554
_cell_length_b   7.889
_cell_length_c   11.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.798
_symmetry_Int_Tables_number   1
_cell_volume   397.175
_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
  Cs  Cs0  1  0.253  0.506  0.010  1.0
  Cs  Cs1  1  0.747  0.494  0.510  1.0
  Sr  Sr2  1  0.001  0.000  0.759  1.0
  Sr  Sr3  1  0.999  1.000  0.259  1.0
  Br  Br4  1  0.369  0.735  0.712  1.0
  Br  Br5  1  0.631  0.265  0.212  1.0
  Br  Br6  1  0.367  0.735  0.307  1.0
  Br  Br7  1  0.633  0.265  0.807  1.0
  Br  Br8  1  0.943  0.881  0.009  1.0
  Br  Br9  1  0.057  0.119  0.509  1.0
[/CIF]
.