The material described by Sm6Cd(SiS7)2 crystallizes in the trigonal P3 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one S(1), one S(6), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one S(2), one S(5), two equivalent S(3), two equivalent S(4), and two equivalent S(6) atoms. Cd(1) is bonded in an octahedral geometry to three equivalent S(3) and three equivalent S(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(5) atoms. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Sm(1) and one Si(1) atom to form distorted corner-sharing SSm3Si tetrahedra. In the second S site, S(2) is bonded to three equivalent Sm(2) and one Si(2) atom to form distorted corner-sharing SSm3Si tetrahedra. In the third S site, S(3) is bonded to two equivalent Sm(1), two equivalent Sm(2), and one Cd(1) atom to form distorted SSm4Cd trigonal bipyramids that share corners with two equivalent S(1)Sm3Si tetrahedra, corners with two equivalent S(2)Sm3Si tetrahedra,  a cornercorner with one S(4)Sm4Cd trigonal bipyramid, corners with two equivalent S(3)Sm4Cd trigonal bipyramids, edges with two equivalent S(3)Sm4Cd trigonal bipyramids, edges with two equivalent S(4)Sm4Cd trigonal bipyramids, and faces with two equivalent S(4)Sm4Cd trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Sm(1), two equivalent Sm(2), and one Cd(1) atom to form distorted SSm4Cd trigonal bipyramids that share corners with two equivalent S(1)Sm3Si tetrahedra, corners with two equivalent S(2)Sm3Si tetrahedra,  a cornercorner with one S(3)Sm4Cd trigonal bipyramid, corners with two equivalent S(4)Sm4Cd trigonal bipyramids, edges with two equivalent S(3)Sm4Cd trigonal bipyramids, edges with two equivalent S(4)Sm4Cd trigonal bipyramids, and faces with two equivalent S(3)Sm4Cd trigonal bipyramids. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Sm(2), two equivalent Sm(1), and one Si(1) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Sm(1), two equivalent Sm(2), and one Si(2) atom. is represented by the CIF file [CIF]
data_Sm6Cd(SiS7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.177
_cell_length_b   10.177
_cell_length_c   5.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   509.577
_cell_formula_units_Z   1
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  0.642  0.877  0.249  1.0
  Sm  Sm1  1  0.123  0.765  0.249  1.0
  Sm  Sm2  1  0.235  0.358  0.249  1.0
  Sm  Sm3  1  0.358  0.123  0.750  1.0
  Sm  Sm4  1  0.877  0.235  0.750  1.0
  Sm  Sm5  1  0.765  0.642  0.750  1.0
  Cd  Cd6  1  0.000  0.000  0.490  1.0
  Si  Si7  1  0.333  0.667  0.834  1.0
  Si  Si8  1  0.667  0.333  0.337  1.0
  S  S9  1  0.333  0.667  0.464  1.0
  S  S10  1  0.667  0.333  0.966  1.0
  S  S11  1  0.743  0.912  0.733  1.0
  S  S12  1  0.088  0.831  0.733  1.0
  S  S13  1  0.169  0.257  0.733  1.0
  S  S14  1  0.257  0.086  0.241  1.0
  S  S15  1  0.914  0.171  0.241  1.0
  S  S16  1  0.829  0.743  0.241  1.0
  S  S17  1  0.478  0.590  0.984  1.0
  S  S18  1  0.410  0.888  0.984  1.0
  S  S19  1  0.112  0.522  0.984  1.0
  S  S20  1  0.522  0.410  0.485  1.0
  S  S21  1  0.590  0.112  0.485  1.0
  S  S22  1  0.888  0.478  0.485  1.0
[/CIF]
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The material described by Sm6Cd(SiS7)2 crystallizes in the trigonal P3 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one S(1), one S(6), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one S(2), one S(5), two equivalent S(3), two equivalent S(4), and two equivalent S(6) atoms. Cd(1) is bonded in an octahedral geometry to three equivalent S(3) and three equivalent S(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(5) atoms. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Sm(1) and one Si(1) atom to form distorted corner-sharing SSm3Si tetrahedra. In the second S site, S(2) is bonded to three equivalent Sm(2) and one Si(2) atom to form distorted corner-sharing SSm3Si tetrahedra. In the third S site, S(3) is bonded to two equivalent Sm(1), two equivalent Sm(2), and one Cd(1) atom to form distorted SSm4Cd trigonal bipyramids that share corners with two equivalent S(1)Sm3Si tetrahedra, corners with two equivalent S(2)Sm3Si tetrahedra,  a cornercorner with one S(4)Sm4Cd trigonal bipyramid, corners with two equivalent S(3)Sm4Cd trigonal bipyramids, edges with two equivalent S(3)Sm4Cd trigonal bipyramids, edges with two equivalent S(4)Sm4Cd trigonal bipyramids, and faces with two equivalent S(4)Sm4Cd trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Sm(1), two equivalent Sm(2), and one Cd(1) atom to form distorted SSm4Cd trigonal bipyramids that share corners with two equivalent S(1)Sm3Si tetrahedra, corners with two equivalent S(2)Sm3Si tetrahedra,  a cornercorner with one S(3)Sm4Cd trigonal bipyramid, corners with two equivalent S(4)Sm4Cd trigonal bipyramids, edges with two equivalent S(3)Sm4Cd trigonal bipyramids, edges with two equivalent S(4)Sm4Cd trigonal bipyramids, and faces with two equivalent S(3)Sm4Cd trigonal bipyramids. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Sm(2), two equivalent Sm(1), and one Si(1) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Sm(1), two equivalent Sm(2), and one Si(2) atom. is represented by the CIF file [CIF]
data_Sm6Cd(SiS7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.177
_cell_length_b   10.177
_cell_length_c   5.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   509.577
_cell_formula_units_Z   1
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  0.642  0.877  0.249  1.0
  Sm  Sm1  1  0.123  0.765  0.249  1.0
  Sm  Sm2  1  0.235  0.358  0.249  1.0
  Sm  Sm3  1  0.358  0.123  0.750  1.0
  Sm  Sm4  1  0.877  0.235  0.750  1.0
  Sm  Sm5  1  0.765  0.642  0.750  1.0
  Cd  Cd6  1  0.000  0.000  0.490  1.0
  Si  Si7  1  0.333  0.667  0.834  1.0
  Si  Si8  1  0.667  0.333  0.337  1.0
  S  S9  1  0.333  0.667  0.464  1.0
  S  S10  1  0.667  0.333  0.966  1.0
  S  S11  1  0.743  0.912  0.733  1.0
  S  S12  1  0.088  0.831  0.733  1.0
  S  S13  1  0.169  0.257  0.733  1.0
  S  S14  1  0.257  0.086  0.241  1.0
  S  S15  1  0.914  0.171  0.241  1.0
  S  S16  1  0.829  0.743  0.241  1.0
  S  S17  1  0.478  0.590  0.984  1.0
  S  S18  1  0.410  0.888  0.984  1.0
  S  S19  1  0.112  0.522  0.984  1.0
  S  S20  1  0.522  0.410  0.485  1.0
  S  S21  1  0.590  0.112  0.485  1.0
  S  S22  1  0.888  0.478  0.485  1.0
[/CIF]
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