The compound described by CsSmI3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent I(2) and six equivalent I(1) atoms. Sm(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form a mixture of corner and edge-sharing SmI6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Sm(1) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and two equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSmI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.555
_cell_length_b   8.555
_cell_length_c   12.017
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   148.662
_symmetry_Int_Tables_number   1
_cell_volume   457.432
_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  0.244  0.756  0.250  1.0
  Cs  Cs1  1  0.756  0.244  0.750  1.0
  Sm  Sm2  1  0.000  0.000  0.000  1.0
  Sm  Sm3  1  0.000  0.000  0.500  1.0
  I  I4  1  0.628  0.372  0.045  1.0
  I  I5  1  0.372  0.628  0.955  1.0
  I  I6  1  0.372  0.628  0.545  1.0
  I  I7  1  0.628  0.372  0.455  1.0
  I  I8  1  0.937  0.063  0.250  1.0
  I  I9  1  0.063  0.937  0.750  1.0
[/CIF]
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The compound described by CsSmI3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent I(2) and six equivalent I(1) atoms. Sm(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form a mixture of corner and edge-sharing SmI6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Sm(1) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and two equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSmI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.555
_cell_length_b   8.555
_cell_length_c   12.017
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   148.662
_symmetry_Int_Tables_number   1
_cell_volume   457.432
_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  0.244  0.756  0.250  1.0
  Cs  Cs1  1  0.756  0.244  0.750  1.0
  Sm  Sm2  1  0.000  0.000  0.000  1.0
  Sm  Sm3  1  0.000  0.000  0.500  1.0
  I  I4  1  0.628  0.372  0.045  1.0
  I  I5  1  0.372  0.628  0.955  1.0
  I  I6  1  0.372  0.628  0.545  1.0
  I  I7  1  0.628  0.372  0.455  1.0
  I  I8  1  0.937  0.063  0.250  1.0
  I  I9  1  0.063  0.937  0.750  1.0
[/CIF]
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