The crystal structure described by Gd3Sc2S7 crystallizes in the monoclinic C2/m space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. In the second Gd site, Gd(2) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form GdS6 octahedra that share corners with two equivalent Sc(1)S6 octahedra and edges with two equivalent Gd(2)S6 octahedra. The corner-sharing octahedral tilt angles are 50°. Sc(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(1) atoms to form ScS6 octahedra that share  a cornercorner with one Gd(2)S6 octahedra, corners with two equivalent Sc(1)S6 octahedra, and edges with five equivalent Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Gd(1) and three equivalent Sc(1) atoms to form distorted SGd2Sc3 trigonal bipyramids that share corners with five equivalent S(3)Gd3Sc tetrahedra, corners with four equivalent S(2)Gd5 trigonal bipyramids,  an edgeedge with one S(3)Gd3Sc tetrahedra,  an edgeedge with one S(2)Gd5 trigonal bipyramid, and edges with four equivalent S(1)Gd2Sc3 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Gd(2) and three equivalent Gd(1) atoms to form distorted SGd5 trigonal bipyramids that share corners with four equivalent S(3)Gd3Sc tetrahedra, corners with two equivalent S(2)Gd5 trigonal bipyramids, corners with four equivalent S(1)Gd2Sc3 trigonal bipyramids, edges with three equivalent S(3)Gd3Sc tetrahedra,  an edgeedge with one S(1)Gd2Sc3 trigonal bipyramid, and edges with five equivalent S(2)Gd5 trigonal bipyramids. In the third S site, S(3) is bonded to one Gd(2), two equivalent Gd(1), and one Sc(1) atom to form distorted SGd3Sc tetrahedra that share corners with three equivalent S(3)Gd3Sc tetrahedra, corners with four equivalent S(2)Gd5 trigonal bipyramids, corners with five equivalent S(1)Gd2Sc3 trigonal bipyramids,  an edgeedge with one S(1)Gd2Sc3 trigonal bipyramid, and edges with three equivalent S(2)Gd5 trigonal bipyramids. In the fourth S site, S(4) is bonded in a square co-planar geometry to four equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd3Sc2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.522
_cell_length_b   6.522
_cell_length_c   11.451
_cell_angle_alpha   75.232
_cell_angle_beta   75.232
_cell_angle_gamma   33.636
_symmetry_Int_Tables_number   1
_cell_volume   260.038
_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
  Gd  Gd0  1  0.305  0.305  0.797  1.0
  Gd  Gd1  1  0.695  0.695  0.203  1.0
  Gd  Gd2  1  0.000  0.000  0.000  1.0
  Sc  Sc3  1  0.112  0.112  0.570  1.0
  Sc  Sc4  1  0.888  0.888  0.430  1.0
  S  S5  1  0.265  0.265  0.364  1.0
  S  S6  1  0.735  0.735  0.636  1.0
  S  S7  1  0.663  0.663  0.945  1.0
  S  S8  1  0.337  0.337  0.055  1.0
  S  S9  1  0.970  0.970  0.775  1.0
  S  S10  1  0.030  0.030  0.225  1.0
  S  S11  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Gd3Sc2S7 crystallizes in the monoclinic C2/m space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. In the second Gd site, Gd(2) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form GdS6 octahedra that share corners with two equivalent Sc(1)S6 octahedra and edges with two equivalent Gd(2)S6 octahedra. The corner-sharing octahedral tilt angles are 50°. Sc(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(1) atoms to form ScS6 octahedra that share  a cornercorner with one Gd(2)S6 octahedra, corners with two equivalent Sc(1)S6 octahedra, and edges with five equivalent Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Gd(1) and three equivalent Sc(1) atoms to form distorted SGd2Sc3 trigonal bipyramids that share corners with five equivalent S(3)Gd3Sc tetrahedra, corners with four equivalent S(2)Gd5 trigonal bipyramids,  an edgeedge with one S(3)Gd3Sc tetrahedra,  an edgeedge with one S(2)Gd5 trigonal bipyramid, and edges with four equivalent S(1)Gd2Sc3 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Gd(2) and three equivalent Gd(1) atoms to form distorted SGd5 trigonal bipyramids that share corners with four equivalent S(3)Gd3Sc tetrahedra, corners with two equivalent S(2)Gd5 trigonal bipyramids, corners with four equivalent S(1)Gd2Sc3 trigonal bipyramids, edges with three equivalent S(3)Gd3Sc tetrahedra,  an edgeedge with one S(1)Gd2Sc3 trigonal bipyramid, and edges with five equivalent S(2)Gd5 trigonal bipyramids. In the third S site, S(3) is bonded to one Gd(2), two equivalent Gd(1), and one Sc(1) atom to form distorted SGd3Sc tetrahedra that share corners with three equivalent S(3)Gd3Sc tetrahedra, corners with four equivalent S(2)Gd5 trigonal bipyramids, corners with five equivalent S(1)Gd2Sc3 trigonal bipyramids,  an edgeedge with one S(1)Gd2Sc3 trigonal bipyramid, and edges with three equivalent S(2)Gd5 trigonal bipyramids. In the fourth S site, S(4) is bonded in a square co-planar geometry to four equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd3Sc2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.522
_cell_length_b   6.522
_cell_length_c   11.451
_cell_angle_alpha   75.232
_cell_angle_beta   75.232
_cell_angle_gamma   33.636
_symmetry_Int_Tables_number   1
_cell_volume   260.038
_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
  Gd  Gd0  1  0.305  0.305  0.797  1.0
  Gd  Gd1  1  0.695  0.695  0.203  1.0
  Gd  Gd2  1  0.000  0.000  0.000  1.0
  Sc  Sc3  1  0.112  0.112  0.570  1.0
  Sc  Sc4  1  0.888  0.888  0.430  1.0
  S  S5  1  0.265  0.265  0.364  1.0
  S  S6  1  0.735  0.735  0.636  1.0
  S  S7  1  0.663  0.663  0.945  1.0
  S  S8  1  0.337  0.337  0.055  1.0
  S  S9  1  0.970  0.970  0.775  1.0
  S  S10  1  0.030  0.030  0.225  1.0
  S  S11  1  0.500  0.500  0.500  1.0
[/CIF]
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