The material described by Sm2O2I crystallizes in the monoclinic C2/m space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 3-coordinate geometry to one O(2), two equivalent O(1), and five equivalent I(1) atoms. In the second Sm site, Sm(2) is bonded in a 5-coordinate geometry to two equivalent O(1), three equivalent O(2), and two equivalent I(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form a mixture of corner and edge-sharing OSm4 trigonal pyramids. In the second O site, O(2) is bonded to one Sm(1) and three equivalent Sm(2) atoms to form a mixture of distorted corner and edge-sharing OSm4 tetrahedra. I(1) is bonded in a 7-coordinate geometry to two equivalent Sm(2) and five equivalent Sm(1) atoms. is represented by the CIF file [CIF]
data_Sm2IO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.760
_cell_length_b   6.760
_cell_length_c   9.382
_cell_angle_alpha   62.798
_cell_angle_beta   62.798
_cell_angle_gamma   35.815
_symmetry_Int_Tables_number   1
_cell_volume   220.064
_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
  Sm  Sm0  1  0.972  0.972  0.283  1.0
  Sm  Sm1  1  0.348  0.348  0.050  1.0
  Sm  Sm2  1  0.028  0.028  0.717  1.0
  Sm  Sm3  1  0.652  0.652  0.950  1.0
  I  I4  1  0.315  0.315  0.628  1.0
  I  I5  1  0.685  0.685  0.372  1.0
  O  O6  1  0.533  0.533  0.813  1.0
  O  O7  1  0.843  0.843  0.924  1.0
  O  O8  1  0.467  0.467  0.187  1.0
  O  O9  1  0.157  0.157  0.076  1.0
[/CIF]
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The material described by Sm2O2I crystallizes in the monoclinic C2/m space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 3-coordinate geometry to one O(2), two equivalent O(1), and five equivalent I(1) atoms. In the second Sm site, Sm(2) is bonded in a 5-coordinate geometry to two equivalent O(1), three equivalent O(2), and two equivalent I(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form a mixture of corner and edge-sharing OSm4 trigonal pyramids. In the second O site, O(2) is bonded to one Sm(1) and three equivalent Sm(2) atoms to form a mixture of distorted corner and edge-sharing OSm4 tetrahedra. I(1) is bonded in a 7-coordinate geometry to two equivalent Sm(2) and five equivalent Sm(1) atoms. is represented by the CIF file [CIF]
data_Sm2IO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.760
_cell_length_b   6.760
_cell_length_c   9.382
_cell_angle_alpha   62.798
_cell_angle_beta   62.798
_cell_angle_gamma   35.815
_symmetry_Int_Tables_number   1
_cell_volume   220.064
_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
  Sm  Sm0  1  0.972  0.972  0.283  1.0
  Sm  Sm1  1  0.348  0.348  0.050  1.0
  Sm  Sm2  1  0.028  0.028  0.717  1.0
  Sm  Sm3  1  0.652  0.652  0.950  1.0
  I  I4  1  0.315  0.315  0.628  1.0
  I  I5  1  0.685  0.685  0.372  1.0
  O  O6  1  0.533  0.533  0.813  1.0
  O  O7  1  0.843  0.843  0.924  1.0
  O  O8  1  0.467  0.467  0.187  1.0
  O  O9  1  0.157  0.157  0.076  1.0
[/CIF]
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