The crystal structure described by Gd4(GeS4)3 crystallizes in the trigonal R3c space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 9-coordinate geometry to three equivalent S(3) and six equivalent S(2) atoms. In the second Gd site, Gd(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 Gd(2) and one Ge(1) atom. In the second S site, S(2) is bonded to one Gd(2), two equivalent Gd(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing SGd3Ge tetrahedra. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Gd(2), and one Ge(1) atom. In the fourth S site, S(4) is bonded in a distorted trigonal planar geometry to two equivalent Gd(2) and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd4(GeS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.409
_cell_length_b   11.409
_cell_length_c   11.409
_cell_angle_alpha   114.873
_cell_angle_beta   114.873
_cell_angle_gamma   114.873
_symmetry_Int_Tables_number   1
_cell_volume   840.604
_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
  Gd  Gd0  1  0.500  0.500  0.500  1.0
  Gd  Gd1  1  0.000  0.000  0.000  1.0
  Gd  Gd2  1  0.526  0.066  0.288  1.0
  Gd  Gd3  1  0.066  0.288  0.526  1.0
  Gd  Gd4  1  0.288  0.526  0.066  1.0
  Gd  Gd5  1  0.788  0.566  0.026  1.0
  Gd  Gd6  1  0.566  0.026  0.788  1.0
  Gd  Gd7  1  0.026  0.788  0.566  1.0
  Ge  Ge8  1  0.530  0.355  0.143  1.0
  Ge  Ge9  1  0.355  0.143  0.530  1.0
  Ge  Ge10  1  0.143  0.530  0.355  1.0
  Ge  Ge11  1  0.643  0.855  0.030  1.0
  Ge  Ge12  1  0.855  0.030  0.643  1.0
  Ge  Ge13  1  0.030  0.643  0.855  1.0
  S  S14  1  0.719  0.117  0.191  1.0
  S  S15  1  0.117  0.191  0.719  1.0
  S  S16  1  0.191  0.719  0.117  1.0
  S  S17  1  0.691  0.617  0.219  1.0
  S  S18  1  0.617  0.219  0.691  1.0
  S  S19  1  0.219  0.691  0.617  1.0
  S  S20  1  0.310  0.315  0.129  1.0
  S  S21  1  0.315  0.129  0.310  1.0
  S  S22  1  0.129  0.310  0.315  1.0
  S  S23  1  0.629  0.815  0.810  1.0
  S  S24  1  0.815  0.810  0.629  1.0
  S  S25  1  0.810  0.629  0.815  1.0
  S  S26  1  0.705  0.415  0.391  1.0
  S  S27  1  0.415  0.391  0.705  1.0
  S  S28  1  0.391  0.705  0.415  1.0
  S  S29  1  0.891  0.915  0.205  1.0
  S  S30  1  0.915  0.205  0.891  1.0
  S  S31  1  0.205  0.891  0.915  1.0
  S  S32  1  0.363  0.641  0.910  1.0
  S  S33  1  0.641  0.910  0.363  1.0
  S  S34  1  0.910  0.363  0.641  1.0
  S  S35  1  0.410  0.141  0.863  1.0
  S  S36  1  0.141  0.863  0.410  1.0
  S  S37  1  0.863  0.410  0.141  1.0
[/CIF]
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The crystal structure described by Gd4(GeS4)3 crystallizes in the trigonal R3c space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 9-coordinate geometry to three equivalent S(3) and six equivalent S(2) atoms. In the second Gd site, Gd(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 Gd(2) and one Ge(1) atom. In the second S site, S(2) is bonded to one Gd(2), two equivalent Gd(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing SGd3Ge tetrahedra. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Gd(2), and one Ge(1) atom. In the fourth S site, S(4) is bonded in a distorted trigonal planar geometry to two equivalent Gd(2) and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd4(GeS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.409
_cell_length_b   11.409
_cell_length_c   11.409
_cell_angle_alpha   114.873
_cell_angle_beta   114.873
_cell_angle_gamma   114.873
_symmetry_Int_Tables_number   1
_cell_volume   840.604
_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
  Gd  Gd0  1  0.500  0.500  0.500  1.0
  Gd  Gd1  1  0.000  0.000  0.000  1.0
  Gd  Gd2  1  0.526  0.066  0.288  1.0
  Gd  Gd3  1  0.066  0.288  0.526  1.0
  Gd  Gd4  1  0.288  0.526  0.066  1.0
  Gd  Gd5  1  0.788  0.566  0.026  1.0
  Gd  Gd6  1  0.566  0.026  0.788  1.0
  Gd  Gd7  1  0.026  0.788  0.566  1.0
  Ge  Ge8  1  0.530  0.355  0.143  1.0
  Ge  Ge9  1  0.355  0.143  0.530  1.0
  Ge  Ge10  1  0.143  0.530  0.355  1.0
  Ge  Ge11  1  0.643  0.855  0.030  1.0
  Ge  Ge12  1  0.855  0.030  0.643  1.0
  Ge  Ge13  1  0.030  0.643  0.855  1.0
  S  S14  1  0.719  0.117  0.191  1.0
  S  S15  1  0.117  0.191  0.719  1.0
  S  S16  1  0.191  0.719  0.117  1.0
  S  S17  1  0.691  0.617  0.219  1.0
  S  S18  1  0.617  0.219  0.691  1.0
  S  S19  1  0.219  0.691  0.617  1.0
  S  S20  1  0.310  0.315  0.129  1.0
  S  S21  1  0.315  0.129  0.310  1.0
  S  S22  1  0.129  0.310  0.315  1.0
  S  S23  1  0.629  0.815  0.810  1.0
  S  S24  1  0.815  0.810  0.629  1.0
  S  S25  1  0.810  0.629  0.815  1.0
  S  S26  1  0.705  0.415  0.391  1.0
  S  S27  1  0.415  0.391  0.705  1.0
  S  S28  1  0.391  0.705  0.415  1.0
  S  S29  1  0.891  0.915  0.205  1.0
  S  S30  1  0.915  0.205  0.891  1.0
  S  S31  1  0.205  0.891  0.915  1.0
  S  S32  1  0.363  0.641  0.910  1.0
  S  S33  1  0.641  0.910  0.363  1.0
  S  S34  1  0.910  0.363  0.641  1.0
  S  S35  1  0.410  0.141  0.863  1.0
  S  S36  1  0.141  0.863  0.410  1.0
  S  S37  1  0.863  0.410  0.141  1.0
[/CIF]
.