The material described by SmI2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. Sm(1) is bonded to three equivalent I(1) and four equivalent I(2) atoms to form a mixture of distorted corner and edge-sharing SmI7 pentagonal bipyramids. There are two inequivalent I sites. In the first I site, I(1) is bonded in a trigonal planar geometry to three equivalent Sm(1) atoms. In the second I site, I(2) is bonded to four equivalent Sm(1) atoms to form a mixture of distorted corner and edge-sharing ISm4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.400
_cell_length_b   8.247
_cell_length_c   14.131
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   862.459
_cell_formula_units_Z   8
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
  Sm  Sm0  1  0.675  0.550  0.094  1.0
  Sm  Sm1  1  0.175  0.950  0.094  1.0
  Sm  Sm2  1  0.675  0.050  0.406  1.0
  Sm  Sm3  1  0.825  0.550  0.594  1.0
  Sm  Sm4  1  0.825  0.050  0.906  1.0
  Sm  Sm5  1  0.325  0.450  0.906  1.0
  Sm  Sm6  1  0.325  0.950  0.594  1.0
  Sm  Sm7  1  0.175  0.450  0.406  1.0
  I  I8  1  0.195  0.616  0.705  1.0
  I  I9  1  0.695  0.884  0.705  1.0
  I  I10  1  0.805  0.384  0.295  1.0
  I  I11  1  0.805  0.884  0.205  1.0
  I  I12  1  0.305  0.616  0.205  1.0
  I  I13  1  0.982  0.707  0.954  1.0
  I  I14  1  0.982  0.207  0.546  1.0
  I  I15  1  0.018  0.793  0.454  1.0
  I  I16  1  0.195  0.116  0.795  1.0
  I  I17  1  0.518  0.207  0.046  1.0
  I  I18  1  0.695  0.384  0.795  1.0
  I  I19  1  0.518  0.707  0.454  1.0
  I  I20  1  0.305  0.116  0.295  1.0
  I  I21  1  0.482  0.793  0.954  1.0
  I  I22  1  0.018  0.293  0.046  1.0
  I  I23  1  0.482  0.293  0.546  1.0
[/CIF]
.
The material described by SmI2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. Sm(1) is bonded to three equivalent I(1) and four equivalent I(2) atoms to form a mixture of distorted corner and edge-sharing SmI7 pentagonal bipyramids. There are two inequivalent I sites. In the first I site, I(1) is bonded in a trigonal planar geometry to three equivalent Sm(1) atoms. In the second I site, I(2) is bonded to four equivalent Sm(1) atoms to form a mixture of distorted corner and edge-sharing ISm4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.400
_cell_length_b   8.247
_cell_length_c   14.131
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   862.459
_cell_formula_units_Z   8
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
  Sm  Sm0  1  0.675  0.550  0.094  1.0
  Sm  Sm1  1  0.175  0.950  0.094  1.0
  Sm  Sm2  1  0.675  0.050  0.406  1.0
  Sm  Sm3  1  0.825  0.550  0.594  1.0
  Sm  Sm4  1  0.825  0.050  0.906  1.0
  Sm  Sm5  1  0.325  0.450  0.906  1.0
  Sm  Sm6  1  0.325  0.950  0.594  1.0
  Sm  Sm7  1  0.175  0.450  0.406  1.0
  I  I8  1  0.195  0.616  0.705  1.0
  I  I9  1  0.695  0.884  0.705  1.0
  I  I10  1  0.805  0.384  0.295  1.0
  I  I11  1  0.805  0.884  0.205  1.0
  I  I12  1  0.305  0.616  0.205  1.0
  I  I13  1  0.982  0.707  0.954  1.0
  I  I14  1  0.982  0.207  0.546  1.0
  I  I15  1  0.018  0.793  0.454  1.0
  I  I16  1  0.195  0.116  0.795  1.0
  I  I17  1  0.518  0.207  0.046  1.0
  I  I18  1  0.695  0.384  0.795  1.0
  I  I19  1  0.518  0.707  0.454  1.0
  I  I20  1  0.305  0.116  0.295  1.0
  I  I21  1  0.482  0.793  0.954  1.0
  I  I22  1  0.018  0.293  0.046  1.0
  I  I23  1  0.482  0.293  0.546  1.0
[/CIF]
.