The crystal structure described by CsSrCl3 crystallizes in the tetragonal P4/mbm space group. Cs(1) is bonded in a distorted body-centered cubic geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. Sr(1) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedral tilt angles range from 0-28°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent Cs(1) and two equivalent Sr(1) atoms to form distorted ClCs4Sr2 octahedra that share corners with six equivalent Cl(1)Cs4Sr2 octahedra, corners with eight equivalent Cl(2)Cs2Sr2 tetrahedra, edges with four equivalent Cl(1)Cs4Sr2 octahedra, and edges with eight equivalent Cl(2)Cs2Sr2 tetrahedra. The corner-sharing octahedra are not tilted. In the second Cl site, Cl(2) is bonded to two equivalent Cs(1) and two equivalent Sr(1) atoms to form distorted ClCs2Sr2 tetrahedra that share corners with four equivalent Cl(1)Cs4Sr2 octahedra, corners with ten equivalent Cl(2)Cs2Sr2 tetrahedra, edges with four equivalent Cl(1)Cs4Sr2 octahedra, and  an edgeedge with one Cl(2)Cs2Sr2 tetrahedra. The corner-sharing octahedral tilt angles are 65°. is represented by the CIF card [CIF]
data_CsSrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.868
_cell_length_b   7.868
_cell_length_c   5.757
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.369
_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  0.500  0.000  0.000  1.0
  Cs  Cs1  1  0.000  0.500  0.000  1.0
  Sr  Sr2  1  0.000  0.000  0.500  1.0
  Sr  Sr3  1  0.500  0.500  0.500  1.0
  Cl  Cl4  1  0.000  0.000  0.000  1.0
  Cl  Cl5  1  0.500  0.500  0.000  1.0
  Cl  Cl6  1  0.688  0.188  0.500  1.0
  Cl  Cl7  1  0.312  0.812  0.500  1.0
  Cl  Cl8  1  0.188  0.312  0.500  1.0
  Cl  Cl9  1  0.812  0.688  0.500  1.0
[/CIF]
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The crystal structure described by CsSrCl3 crystallizes in the tetragonal P4/mbm space group. Cs(1) is bonded in a distorted body-centered cubic geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. Sr(1) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedral tilt angles range from 0-28°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent Cs(1) and two equivalent Sr(1) atoms to form distorted ClCs4Sr2 octahedra that share corners with six equivalent Cl(1)Cs4Sr2 octahedra, corners with eight equivalent Cl(2)Cs2Sr2 tetrahedra, edges with four equivalent Cl(1)Cs4Sr2 octahedra, and edges with eight equivalent Cl(2)Cs2Sr2 tetrahedra. The corner-sharing octahedra are not tilted. In the second Cl site, Cl(2) is bonded to two equivalent Cs(1) and two equivalent Sr(1) atoms to form distorted ClCs2Sr2 tetrahedra that share corners with four equivalent Cl(1)Cs4Sr2 octahedra, corners with ten equivalent Cl(2)Cs2Sr2 tetrahedra, edges with four equivalent Cl(1)Cs4Sr2 octahedra, and  an edgeedge with one Cl(2)Cs2Sr2 tetrahedra. The corner-sharing octahedral tilt angles are 65°. is represented by the CIF card [CIF]
data_CsSrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.868
_cell_length_b   7.868
_cell_length_c   5.757
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.369
_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  0.500  0.000  0.000  1.0
  Cs  Cs1  1  0.000  0.500  0.000  1.0
  Sr  Sr2  1  0.000  0.000  0.500  1.0
  Sr  Sr3  1  0.500  0.500  0.500  1.0
  Cl  Cl4  1  0.000  0.000  0.000  1.0
  Cl  Cl5  1  0.500  0.500  0.000  1.0
  Cl  Cl6  1  0.688  0.188  0.500  1.0
  Cl  Cl7  1  0.312  0.812  0.500  1.0
  Cl  Cl8  1  0.188  0.312  0.500  1.0
  Cl  Cl9  1  0.812  0.688  0.500  1.0
[/CIF]
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