The structure described by Gd2Sc3Si4 crystallizes in the orthorhombic Pnma space group. Gd(1) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(2), and four equivalent Si(3) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms to form distorted corner-sharing ScSi6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one Si(2), two equivalent Si(1), and three equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Gd(1), two equivalent Sc(1), four equivalent Sc(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Sc(1), two equivalent Sc(2), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to four equivalent Gd(1), one Sc(1), three equivalent Sc(2), and one Si(3) atom. is represented by the CIF file [CIF]
data_Gd2Sc3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.945
_cell_length_b   7.272
_cell_length_c   13.820
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   697.897
_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
  Gd  Gd0  1  0.010  0.174  0.097  1.0
  Gd  Gd1  1  0.990  0.826  0.903  1.0
  Gd  Gd2  1  0.490  0.674  0.903  1.0
  Gd  Gd3  1  0.990  0.826  0.597  1.0
  Gd  Gd4  1  0.510  0.326  0.097  1.0
  Gd  Gd5  1  0.010  0.174  0.403  1.0
  Gd  Gd6  1  0.510  0.326  0.403  1.0
  Gd  Gd7  1  0.490  0.674  0.597  1.0
  Sc  Sc8  1  0.162  0.505  0.750  1.0
  Sc  Sc9  1  0.838  0.495  0.250  1.0
  Sc  Sc10  1  0.338  0.005  0.250  1.0
  Sc  Sc11  1  0.662  0.995  0.750  1.0
  Sc  Sc12  1  0.328  0.175  0.624  1.0
  Sc  Sc13  1  0.672  0.825  0.376  1.0
  Sc  Sc14  1  0.172  0.675  0.376  1.0
  Sc  Sc15  1  0.672  0.825  0.124  1.0
  Sc  Sc16  1  0.828  0.325  0.624  1.0
  Sc  Sc17  1  0.328  0.175  0.876  1.0
  Sc  Sc18  1  0.828  0.325  0.876  1.0
  Sc  Sc19  1  0.172  0.675  0.124  1.0
  Si  Si20  1  0.033  0.120  0.750  1.0
  Si  Si21  1  0.967  0.880  0.250  1.0
  Si  Si22  1  0.467  0.620  0.250  1.0
  Si  Si23  1  0.533  0.380  0.750  1.0
  Si  Si24  1  0.286  0.878  0.750  1.0
  Si  Si25  1  0.714  0.122  0.250  1.0
  Si  Si26  1  0.214  0.378  0.250  1.0
  Si  Si27  1  0.786  0.622  0.750  1.0
  Si  Si28  1  0.155  0.464  0.539  1.0
  Si  Si29  1  0.845  0.536  0.461  1.0
  Si  Si30  1  0.345  0.964  0.461  1.0
  Si  Si31  1  0.845  0.536  0.039  1.0
  Si  Si32  1  0.655  0.036  0.539  1.0
  Si  Si33  1  0.155  0.464  0.961  1.0
  Si  Si34  1  0.655  0.036  0.961  1.0
  Si  Si35  1  0.345  0.964  0.039  1.0
[/CIF]
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The structure described by Gd2Sc3Si4 crystallizes in the orthorhombic Pnma space group. Gd(1) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(2), and four equivalent Si(3) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms to form distorted corner-sharing ScSi6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one Si(2), two equivalent Si(1), and three equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Gd(1), two equivalent Sc(1), four equivalent Sc(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Sc(1), two equivalent Sc(2), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to four equivalent Gd(1), one Sc(1), three equivalent Sc(2), and one Si(3) atom. is represented by the CIF file [CIF]
data_Gd2Sc3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.945
_cell_length_b   7.272
_cell_length_c   13.820
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   697.897
_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
  Gd  Gd0  1  0.010  0.174  0.097  1.0
  Gd  Gd1  1  0.990  0.826  0.903  1.0
  Gd  Gd2  1  0.490  0.674  0.903  1.0
  Gd  Gd3  1  0.990  0.826  0.597  1.0
  Gd  Gd4  1  0.510  0.326  0.097  1.0
  Gd  Gd5  1  0.010  0.174  0.403  1.0
  Gd  Gd6  1  0.510  0.326  0.403  1.0
  Gd  Gd7  1  0.490  0.674  0.597  1.0
  Sc  Sc8  1  0.162  0.505  0.750  1.0
  Sc  Sc9  1  0.838  0.495  0.250  1.0
  Sc  Sc10  1  0.338  0.005  0.250  1.0
  Sc  Sc11  1  0.662  0.995  0.750  1.0
  Sc  Sc12  1  0.328  0.175  0.624  1.0
  Sc  Sc13  1  0.672  0.825  0.376  1.0
  Sc  Sc14  1  0.172  0.675  0.376  1.0
  Sc  Sc15  1  0.672  0.825  0.124  1.0
  Sc  Sc16  1  0.828  0.325  0.624  1.0
  Sc  Sc17  1  0.328  0.175  0.876  1.0
  Sc  Sc18  1  0.828  0.325  0.876  1.0
  Sc  Sc19  1  0.172  0.675  0.124  1.0
  Si  Si20  1  0.033  0.120  0.750  1.0
  Si  Si21  1  0.967  0.880  0.250  1.0
  Si  Si22  1  0.467  0.620  0.250  1.0
  Si  Si23  1  0.533  0.380  0.750  1.0
  Si  Si24  1  0.286  0.878  0.750  1.0
  Si  Si25  1  0.714  0.122  0.250  1.0
  Si  Si26  1  0.214  0.378  0.250  1.0
  Si  Si27  1  0.786  0.622  0.750  1.0
  Si  Si28  1  0.155  0.464  0.539  1.0
  Si  Si29  1  0.845  0.536  0.461  1.0
  Si  Si30  1  0.345  0.964  0.461  1.0
  Si  Si31  1  0.845  0.536  0.039  1.0
  Si  Si32  1  0.655  0.036  0.539  1.0
  Si  Si33  1  0.155  0.464  0.961  1.0
  Si  Si34  1  0.655  0.036  0.961  1.0
  Si  Si35  1  0.345  0.964  0.039  1.0
[/CIF]
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