The material structure described by CsSm2I5 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to two equivalent I(2), two equivalent I(3), two equivalent I(4), and three equivalent I(1) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 7-coordinate geometry to one I(5), two equivalent I(2), two equivalent I(3), and two equivalent I(4) atoms. In the second Sm site, Sm(2) is bonded in a 7-coordinate geometry to one I(2), one I(3), one I(4), two equivalent I(1), and two equivalent I(5) atoms. There are five inequivalent I sites. In the first I site, I(1) is bonded to three equivalent Cs(1) and two equivalent Sm(2) atoms to form distorted ICs3Sm2 trigonal bipyramids that share corners with two equivalent I(2)Cs2Sm3 trigonal bipyramids, corners with two equivalent I(3)Cs2Sm3 trigonal bipyramids, corners with four equivalent I(1)Cs3Sm2 trigonal bipyramids, edges with two equivalent I(1)Cs3Sm2 trigonal bipyramids, edges with three equivalent I(2)Cs2Sm3 trigonal bipyramids, and edges with three equivalent I(3)Cs2Sm3 trigonal bipyramids. In the second I site, I(2) is bonded to two equivalent Cs(1), one Sm(2), and two equivalent Sm(1) atoms to form distorted ICs2Sm3 trigonal bipyramids that share  a cornercorner with one I(3)Cs2Sm3 trigonal bipyramid, corners with two equivalent I(1)Cs3Sm2 trigonal bipyramids, corners with four equivalent I(2)Cs2Sm3 trigonal bipyramids, edges with three equivalent I(1)Cs3Sm2 trigonal bipyramids, and edges with four equivalent I(3)Cs2Sm3 trigonal bipyramids. In the third I site, I(3) is bonded to two equivalent Cs(1), one Sm(2), and two equivalent Sm(1) atoms to form distorted ICs2Sm3 trigonal bipyramids that share  a cornercorner with one I(2)Cs2Sm3 trigonal bipyramid, corners with two equivalent I(1)Cs3Sm2 trigonal bipyramids, corners with four equivalent I(3)Cs2Sm3 trigonal bipyramids, edges with three equivalent I(1)Cs3Sm2 trigonal bipyramids, and edges with four equivalent I(2)Cs2Sm3 trigonal bipyramids. In the fourth I site, I(4) is bonded in a 5-coordinate geometry to two equivalent Cs(1), one Sm(2), and two equivalent Sm(1) atoms. In the fifth I site, I(5) is bonded in a trigonal non-coplanar geometry to one Sm(1) and two equivalent Sm(2) atoms. is represented by the CIF file [CIF]
data_CsSm2I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.173
_cell_length_b   9.994
_cell_length_c   13.865
_cell_angle_alpha   87.538
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1269.919
_cell_formula_units_Z   4
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  0.418  0.494  0.831  1.0
  Cs  Cs1  1  0.582  0.506  0.169  1.0
  Cs  Cs2  1  0.918  0.506  0.669  1.0
  Cs  Cs3  1  0.082  0.494  0.331  1.0
  Sm  Sm4  1  0.396  0.997  0.815  1.0
  Sm  Sm5  1  0.604  0.003  0.185  1.0
  Sm  Sm6  1  0.896  0.003  0.685  1.0
  Sm  Sm7  1  0.104  0.997  0.315  1.0
  Sm  Sm8  1  0.398  0.777  0.499  1.0
  Sm  Sm9  1  0.602  0.223  0.501  1.0
  Sm  Sm10  1  0.898  0.223  0.001  1.0
  Sm  Sm11  1  0.102  0.777  0.999  1.0
  I  I12  1  0.317  0.472  0.564  1.0
  I  I13  1  0.683  0.528  0.436  1.0
  I  I14  1  0.817  0.528  0.936  1.0
  I  I15  1  0.183  0.472  0.064  1.0
  I  I16  1  0.617  0.796  0.691  1.0
  I  I17  1  0.383  0.204  0.309  1.0
  I  I18  1  0.117  0.204  0.809  1.0
  I  I19  1  0.883  0.796  0.191  1.0
  I  I20  1  0.153  0.783  0.773  1.0
  I  I21  1  0.847  0.217  0.227  1.0
  I  I22  1  0.653  0.217  0.727  1.0
  I  I23  1  0.347  0.783  0.273  1.0
  I  I24  1  0.044  0.803  0.501  1.0
  I  I25  1  0.956  0.197  0.499  1.0
  I  I26  1  0.544  0.197  0.999  1.0
  I  I27  1  0.456  0.803  0.001  1.0
  I  I28  1  0.834  0.943  0.912  1.0
  I  I29  1  0.166  0.057  0.088  1.0
  I  I30  1  0.334  0.057  0.588  1.0
  I  I31  1  0.666  0.943  0.412  1.0
[/CIF]
.
The material structure described by CsSm2I5 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to two equivalent I(2), two equivalent I(3), two equivalent I(4), and three equivalent I(1) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 7-coordinate geometry to one I(5), two equivalent I(2), two equivalent I(3), and two equivalent I(4) atoms. In the second Sm site, Sm(2) is bonded in a 7-coordinate geometry to one I(2), one I(3), one I(4), two equivalent I(1), and two equivalent I(5) atoms. There are five inequivalent I sites. In the first I site, I(1) is bonded to three equivalent Cs(1) and two equivalent Sm(2) atoms to form distorted ICs3Sm2 trigonal bipyramids that share corners with two equivalent I(2)Cs2Sm3 trigonal bipyramids, corners with two equivalent I(3)Cs2Sm3 trigonal bipyramids, corners with four equivalent I(1)Cs3Sm2 trigonal bipyramids, edges with two equivalent I(1)Cs3Sm2 trigonal bipyramids, edges with three equivalent I(2)Cs2Sm3 trigonal bipyramids, and edges with three equivalent I(3)Cs2Sm3 trigonal bipyramids. In the second I site, I(2) is bonded to two equivalent Cs(1), one Sm(2), and two equivalent Sm(1) atoms to form distorted ICs2Sm3 trigonal bipyramids that share  a cornercorner with one I(3)Cs2Sm3 trigonal bipyramid, corners with two equivalent I(1)Cs3Sm2 trigonal bipyramids, corners with four equivalent I(2)Cs2Sm3 trigonal bipyramids, edges with three equivalent I(1)Cs3Sm2 trigonal bipyramids, and edges with four equivalent I(3)Cs2Sm3 trigonal bipyramids. In the third I site, I(3) is bonded to two equivalent Cs(1), one Sm(2), and two equivalent Sm(1) atoms to form distorted ICs2Sm3 trigonal bipyramids that share  a cornercorner with one I(2)Cs2Sm3 trigonal bipyramid, corners with two equivalent I(1)Cs3Sm2 trigonal bipyramids, corners with four equivalent I(3)Cs2Sm3 trigonal bipyramids, edges with three equivalent I(1)Cs3Sm2 trigonal bipyramids, and edges with four equivalent I(2)Cs2Sm3 trigonal bipyramids. In the fourth I site, I(4) is bonded in a 5-coordinate geometry to two equivalent Cs(1), one Sm(2), and two equivalent Sm(1) atoms. In the fifth I site, I(5) is bonded in a trigonal non-coplanar geometry to one Sm(1) and two equivalent Sm(2) atoms. is represented by the CIF file [CIF]
data_CsSm2I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.173
_cell_length_b   9.994
_cell_length_c   13.865
_cell_angle_alpha   87.538
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1269.919
_cell_formula_units_Z   4
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  0.418  0.494  0.831  1.0
  Cs  Cs1  1  0.582  0.506  0.169  1.0
  Cs  Cs2  1  0.918  0.506  0.669  1.0
  Cs  Cs3  1  0.082  0.494  0.331  1.0
  Sm  Sm4  1  0.396  0.997  0.815  1.0
  Sm  Sm5  1  0.604  0.003  0.185  1.0
  Sm  Sm6  1  0.896  0.003  0.685  1.0
  Sm  Sm7  1  0.104  0.997  0.315  1.0
  Sm  Sm8  1  0.398  0.777  0.499  1.0
  Sm  Sm9  1  0.602  0.223  0.501  1.0
  Sm  Sm10  1  0.898  0.223  0.001  1.0
  Sm  Sm11  1  0.102  0.777  0.999  1.0
  I  I12  1  0.317  0.472  0.564  1.0
  I  I13  1  0.683  0.528  0.436  1.0
  I  I14  1  0.817  0.528  0.936  1.0
  I  I15  1  0.183  0.472  0.064  1.0
  I  I16  1  0.617  0.796  0.691  1.0
  I  I17  1  0.383  0.204  0.309  1.0
  I  I18  1  0.117  0.204  0.809  1.0
  I  I19  1  0.883  0.796  0.191  1.0
  I  I20  1  0.153  0.783  0.773  1.0
  I  I21  1  0.847  0.217  0.227  1.0
  I  I22  1  0.653  0.217  0.727  1.0
  I  I23  1  0.347  0.783  0.273  1.0
  I  I24  1  0.044  0.803  0.501  1.0
  I  I25  1  0.956  0.197  0.499  1.0
  I  I26  1  0.544  0.197  0.999  1.0
  I  I27  1  0.456  0.803  0.001  1.0
  I  I28  1  0.834  0.943  0.912  1.0
  I  I29  1  0.166  0.057  0.088  1.0
  I  I30  1  0.334  0.057  0.588  1.0
  I  I31  1  0.666  0.943  0.412  1.0
[/CIF]
.