The material described by SmCeI4 crystallizes in the monoclinic C2/c space group. Sm(1) is bonded in a 8-coordinate geometry to four equivalent I(1) and four equivalent I(2) atoms. Ce(1) is bonded in a 8-coordinate geometry to four equivalent I(1) and four equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to two equivalent Sm(1) and two equivalent Ce(1) atoms to form a mixture of distorted corner, edge, and face-sharing ICe2Sm2 tetrahedra. In the second I site, I(2) is bonded to two equivalent Sm(1) and two equivalent Ce(1) atoms to form a mixture of distorted corner, edge, and face-sharing ICe2Sm2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeSmI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.874
_cell_length_b   8.874
_cell_length_c   7.503
_cell_angle_alpha   70.196
_cell_angle_beta   70.196
_cell_angle_gamma   110.097
_symmetry_Int_Tables_number   1
_cell_volume   447.468
_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
  Ce  Ce0  1  0.499  0.501  0.750  1.0
  Ce  Ce1  1  0.501  0.499  0.250  1.0
  Sm  Sm2  1  0.867  0.133  0.250  1.0
  Sm  Sm3  1  0.133  0.867  0.750  1.0
  I  I4  1  0.873  0.755  0.254  1.0
  I  I5  1  0.245  0.127  0.246  1.0
  I  I6  1  0.188  0.556  0.091  1.0
  I  I7  1  0.556  0.188  0.591  1.0
  I  I8  1  0.444  0.812  0.409  1.0
  I  I9  1  0.755  0.873  0.754  1.0
  I  I10  1  0.812  0.444  0.909  1.0
  I  I11  1  0.127  0.245  0.746  1.0
[/CIF]
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The material described by SmCeI4 crystallizes in the monoclinic C2/c space group. Sm(1) is bonded in a 8-coordinate geometry to four equivalent I(1) and four equivalent I(2) atoms. Ce(1) is bonded in a 8-coordinate geometry to four equivalent I(1) and four equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to two equivalent Sm(1) and two equivalent Ce(1) atoms to form a mixture of distorted corner, edge, and face-sharing ICe2Sm2 tetrahedra. In the second I site, I(2) is bonded to two equivalent Sm(1) and two equivalent Ce(1) atoms to form a mixture of distorted corner, edge, and face-sharing ICe2Sm2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeSmI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.874
_cell_length_b   8.874
_cell_length_c   7.503
_cell_angle_alpha   70.196
_cell_angle_beta   70.196
_cell_angle_gamma   110.097
_symmetry_Int_Tables_number   1
_cell_volume   447.468
_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
  Ce  Ce0  1  0.499  0.501  0.750  1.0
  Ce  Ce1  1  0.501  0.499  0.250  1.0
  Sm  Sm2  1  0.867  0.133  0.250  1.0
  Sm  Sm3  1  0.133  0.867  0.750  1.0
  I  I4  1  0.873  0.755  0.254  1.0
  I  I5  1  0.245  0.127  0.246  1.0
  I  I6  1  0.188  0.556  0.091  1.0
  I  I7  1  0.556  0.188  0.591  1.0
  I  I8  1  0.444  0.812  0.409  1.0
  I  I9  1  0.755  0.873  0.754  1.0
  I  I10  1  0.812  0.444  0.909  1.0
  I  I11  1  0.127  0.245  0.746  1.0
[/CIF]
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