The material described by Sm4(GeS4)3 crystallizes in the trigonal R3c space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to three equivalent S(3) and six equivalent S(2) atoms. In the second Sm site, Sm(2) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Sm(2) and one Ge(1) atom. In the second S site, S(2) is bonded to one Sm(2), two equivalent Sm(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing SSm3Ge tetrahedra. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Sm(1), two equivalent Sm(2), and one Ge(1) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Sm(2) and one Ge(1) atom. is represented by the CIF card [CIF]
data_Sm4(GeS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.454
_cell_length_b   11.454
_cell_length_c   11.454
_cell_angle_alpha   114.876
_cell_angle_beta   114.876
_cell_angle_gamma   114.876
_symmetry_Int_Tables_number   1
_cell_volume   850.506
_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  0.495  0.495  0.495  1.0
  Sm  Sm1  1  0.995  0.995  0.995  1.0
  Sm  Sm2  1  0.716  0.938  0.475  1.0
  Sm  Sm3  1  0.475  0.716  0.938  1.0
  Sm  Sm4  1  0.938  0.475  0.716  1.0
  Sm  Sm5  1  0.975  0.438  0.216  1.0
  Sm  Sm6  1  0.216  0.975  0.438  1.0
  Sm  Sm7  1  0.438  0.216  0.975  1.0
  Ge  Ge8  1  0.856  0.645  0.471  1.0
  Ge  Ge9  1  0.471  0.856  0.645  1.0
  Ge  Ge10  1  0.645  0.471  0.856  1.0
  Ge  Ge11  1  0.971  0.145  0.356  1.0
  Ge  Ge12  1  0.356  0.971  0.145  1.0
  Ge  Ge13  1  0.145  0.356  0.971  1.0
  S  S14  1  0.810  0.886  0.280  1.0
  S  S15  1  0.280  0.810  0.886  1.0
  S  S16  1  0.886  0.280  0.810  1.0
  S  S17  1  0.780  0.386  0.310  1.0
  S  S18  1  0.310  0.780  0.386  1.0
  S  S19  1  0.386  0.310  0.780  1.0
  S  S20  1  0.868  0.681  0.685  1.0
  S  S21  1  0.685  0.868  0.681  1.0
  S  S22  1  0.681  0.685  0.868  1.0
  S  S23  1  0.185  0.181  0.368  1.0
  S  S24  1  0.368  0.185  0.181  1.0
  S  S25  1  0.181  0.368  0.185  1.0
  S  S26  1  0.613  0.588  0.297  1.0
  S  S27  1  0.297  0.613  0.588  1.0
  S  S28  1  0.588  0.297  0.613  1.0
  S  S29  1  0.797  0.088  0.113  1.0
  S  S30  1  0.113  0.797  0.088  1.0
  S  S31  1  0.088  0.113  0.797  1.0
  S  S32  1  0.089  0.356  0.633  1.0
  S  S33  1  0.633  0.089  0.356  1.0
  S  S34  1  0.356  0.633  0.089  1.0
  S  S35  1  0.133  0.856  0.589  1.0
  S  S36  1  0.589  0.133  0.856  1.0
  S  S37  1  0.856  0.589  0.133  1.0
[/CIF]
.
The material described by Sm4(GeS4)3 crystallizes in the trigonal R3c space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to three equivalent S(3) and six equivalent S(2) atoms. In the second Sm site, Sm(2) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Sm(2) and one Ge(1) atom. In the second S site, S(2) is bonded to one Sm(2), two equivalent Sm(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing SSm3Ge tetrahedra. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Sm(1), two equivalent Sm(2), and one Ge(1) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Sm(2) and one Ge(1) atom. is represented by the CIF card [CIF]
data_Sm4(GeS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.454
_cell_length_b   11.454
_cell_length_c   11.454
_cell_angle_alpha   114.876
_cell_angle_beta   114.876
_cell_angle_gamma   114.876
_symmetry_Int_Tables_number   1
_cell_volume   850.506
_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  0.495  0.495  0.495  1.0
  Sm  Sm1  1  0.995  0.995  0.995  1.0
  Sm  Sm2  1  0.716  0.938  0.475  1.0
  Sm  Sm3  1  0.475  0.716  0.938  1.0
  Sm  Sm4  1  0.938  0.475  0.716  1.0
  Sm  Sm5  1  0.975  0.438  0.216  1.0
  Sm  Sm6  1  0.216  0.975  0.438  1.0
  Sm  Sm7  1  0.438  0.216  0.975  1.0
  Ge  Ge8  1  0.856  0.645  0.471  1.0
  Ge  Ge9  1  0.471  0.856  0.645  1.0
  Ge  Ge10  1  0.645  0.471  0.856  1.0
  Ge  Ge11  1  0.971  0.145  0.356  1.0
  Ge  Ge12  1  0.356  0.971  0.145  1.0
  Ge  Ge13  1  0.145  0.356  0.971  1.0
  S  S14  1  0.810  0.886  0.280  1.0
  S  S15  1  0.280  0.810  0.886  1.0
  S  S16  1  0.886  0.280  0.810  1.0
  S  S17  1  0.780  0.386  0.310  1.0
  S  S18  1  0.310  0.780  0.386  1.0
  S  S19  1  0.386  0.310  0.780  1.0
  S  S20  1  0.868  0.681  0.685  1.0
  S  S21  1  0.685  0.868  0.681  1.0
  S  S22  1  0.681  0.685  0.868  1.0
  S  S23  1  0.185  0.181  0.368  1.0
  S  S24  1  0.368  0.185  0.181  1.0
  S  S25  1  0.181  0.368  0.185  1.0
  S  S26  1  0.613  0.588  0.297  1.0
  S  S27  1  0.297  0.613  0.588  1.0
  S  S28  1  0.588  0.297  0.613  1.0
  S  S29  1  0.797  0.088  0.113  1.0
  S  S30  1  0.113  0.797  0.088  1.0
  S  S31  1  0.088  0.113  0.797  1.0
  S  S32  1  0.089  0.356  0.633  1.0
  S  S33  1  0.633  0.089  0.356  1.0
  S  S34  1  0.356  0.633  0.089  1.0
  S  S35  1  0.133  0.856  0.589  1.0
  S  S36  1  0.589  0.133  0.856  1.0
  S  S37  1  0.856  0.589  0.133  1.0
[/CIF]
.