The crystal structure described by CsPbCl3 is (Cubic) Perovskite structured and crystallizes in the trigonal R32 space group. Cs(1) is bonded to twelve equivalent Cl(1) atoms to form distorted CsCl12 cuboctahedra that share corners with twelve equivalent Cs(1)Cl12 cuboctahedra, faces with six equivalent Cs(1)Cl12 cuboctahedra, and faces with eight equivalent Pb(1)Cl6 octahedra. Pb(1) is bonded to six equivalent Cl(1) atoms to form PbCl6 octahedra that share corners with six equivalent Pb(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. Cl(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1) and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsPbCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.677
_cell_length_b   5.677
_cell_length_c   5.677
_cell_angle_alpha   89.685
_cell_angle_beta   89.685
_cell_angle_gamma   89.685
_symmetry_Int_Tables_number   1
_cell_volume   182.946
_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
  Cs  Cs0  1  0.500  0.500  0.500  1.0
  Pb  Pb1  1  0.000  0.000  0.000  1.0
  Cl  Cl2  1  0.981  0.500  0.019  1.0
  Cl  Cl3  1  0.500  0.019  0.981  1.0
  Cl  Cl4  1  0.019  0.981  0.500  1.0
[/CIF]
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The crystal structure described by CsPbCl3 is (Cubic) Perovskite structured and crystallizes in the trigonal R32 space group. Cs(1) is bonded to twelve equivalent Cl(1) atoms to form distorted CsCl12 cuboctahedra that share corners with twelve equivalent Cs(1)Cl12 cuboctahedra, faces with six equivalent Cs(1)Cl12 cuboctahedra, and faces with eight equivalent Pb(1)Cl6 octahedra. Pb(1) is bonded to six equivalent Cl(1) atoms to form PbCl6 octahedra that share corners with six equivalent Pb(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. Cl(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1) and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsPbCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.677
_cell_length_b   5.677
_cell_length_c   5.677
_cell_angle_alpha   89.685
_cell_angle_beta   89.685
_cell_angle_gamma   89.685
_symmetry_Int_Tables_number   1
_cell_volume   182.946
_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
  Cs  Cs0  1  0.500  0.500  0.500  1.0
  Pb  Pb1  1  0.000  0.000  0.000  1.0
  Cl  Cl2  1  0.981  0.500  0.019  1.0
  Cl  Cl3  1  0.500  0.019  0.981  1.0
  Cl  Cl4  1  0.019  0.981  0.500  1.0
[/CIF]
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