The material structure described by Sm4OI6 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted single-bond geometry to one O(1), three equivalent I(2), and four equivalent I(1) atoms. In the second Sm site, Sm(2) is bonded in a distorted single-bond geometry to one O(1), three equivalent I(2), and six equivalent I(1) atoms. O(1) is bonded to one Sm(2) and three equivalent Sm(1) atoms to form OSm4 trigonal pyramids that share corners with six equivalent I(2)Sm4 tetrahedra and edges with three equivalent I(2)Sm4 tetrahedra. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 6-coordinate geometry to two equivalent Sm(2) and four equivalent Sm(1) atoms. In the second I site, I(2) is bonded to one Sm(2) and three equivalent Sm(1) atoms to form distorted ISm4 tetrahedra that share corners with eight equivalent I(2)Sm4 tetrahedra, corners with two equivalent O(1)Sm4 trigonal pyramids, and  an edgeedge with one O(1)Sm4 trigonal pyramid. is represented by the CIF card [CIF]
data_Sm4I6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.886
_cell_length_b   9.886
_cell_length_c   8.475
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   717.325
_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  0.202  0.798  0.069  1.0
  Sm  Sm1  1  0.798  0.596  0.569  1.0
  Sm  Sm2  1  0.596  0.798  0.069  1.0
  Sm  Sm3  1  0.667  0.333  0.261  1.0
  Sm  Sm4  1  0.404  0.202  0.569  1.0
  Sm  Sm5  1  0.333  0.667  0.761  1.0
  Sm  Sm6  1  0.798  0.202  0.569  1.0
  Sm  Sm7  1  0.202  0.404  0.069  1.0
  I  I8  1  0.473  0.945  0.386  1.0
  I  I9  1  0.135  0.865  0.699  1.0
  I  I10  1  0.135  0.270  0.699  1.0
  I  I11  1  0.865  0.135  0.199  1.0
  I  I12  1  0.055  0.527  0.386  1.0
  I  I13  1  0.270  0.135  0.199  1.0
  I  I14  1  0.865  0.730  0.199  1.0
  I  I15  1  0.945  0.473  0.886  1.0
  I  I16  1  0.527  0.055  0.886  1.0
  I  I17  1  0.527  0.473  0.886  1.0
  I  I18  1  0.473  0.527  0.386  1.0
  I  I19  1  0.730  0.865  0.699  1.0
  O  O20  1  0.667  0.333  0.546  1.0
  O  O21  1  0.333  0.667  0.046  1.0
[/CIF]
.
The material structure described by Sm4OI6 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted single-bond geometry to one O(1), three equivalent I(2), and four equivalent I(1) atoms. In the second Sm site, Sm(2) is bonded in a distorted single-bond geometry to one O(1), three equivalent I(2), and six equivalent I(1) atoms. O(1) is bonded to one Sm(2) and three equivalent Sm(1) atoms to form OSm4 trigonal pyramids that share corners with six equivalent I(2)Sm4 tetrahedra and edges with three equivalent I(2)Sm4 tetrahedra. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 6-coordinate geometry to two equivalent Sm(2) and four equivalent Sm(1) atoms. In the second I site, I(2) is bonded to one Sm(2) and three equivalent Sm(1) atoms to form distorted ISm4 tetrahedra that share corners with eight equivalent I(2)Sm4 tetrahedra, corners with two equivalent O(1)Sm4 trigonal pyramids, and  an edgeedge with one O(1)Sm4 trigonal pyramid. is represented by the CIF card [CIF]
data_Sm4I6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.886
_cell_length_b   9.886
_cell_length_c   8.475
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   717.325
_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  0.202  0.798  0.069  1.0
  Sm  Sm1  1  0.798  0.596  0.569  1.0
  Sm  Sm2  1  0.596  0.798  0.069  1.0
  Sm  Sm3  1  0.667  0.333  0.261  1.0
  Sm  Sm4  1  0.404  0.202  0.569  1.0
  Sm  Sm5  1  0.333  0.667  0.761  1.0
  Sm  Sm6  1  0.798  0.202  0.569  1.0
  Sm  Sm7  1  0.202  0.404  0.069  1.0
  I  I8  1  0.473  0.945  0.386  1.0
  I  I9  1  0.135  0.865  0.699  1.0
  I  I10  1  0.135  0.270  0.699  1.0
  I  I11  1  0.865  0.135  0.199  1.0
  I  I12  1  0.055  0.527  0.386  1.0
  I  I13  1  0.270  0.135  0.199  1.0
  I  I14  1  0.865  0.730  0.199  1.0
  I  I15  1  0.945  0.473  0.886  1.0
  I  I16  1  0.527  0.055  0.886  1.0
  I  I17  1  0.527  0.473  0.886  1.0
  I  I18  1  0.473  0.527  0.386  1.0
  I  I19  1  0.730  0.865  0.699  1.0
  O  O20  1  0.667  0.333  0.546  1.0
  O  O21  1  0.333  0.667  0.046  1.0
[/CIF]
.