The crystal structure described by Gd2Sc3Ge4 crystallizes in the orthorhombic Pnma space group. Gd(1) is bonded to one Ge(2), two equivalent Ge(3), and four equivalent Ge(1) atoms to form distorted GdGe7 pentagonal bipyramids that share corners with four equivalent Sc(1)Ge6 octahedra, corners with six equivalent Gd(1)Ge7 pentagonal bipyramids, edges with two equivalent Gd(1)Ge7 pentagonal bipyramids, faces with two equivalent Sc(1)Ge6 octahedra, and faces with three equivalent Gd(1)Ge7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-50°. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form ScGe6 octahedra that share corners with four equivalent Sc(1)Ge6 octahedra, corners with eight equivalent Gd(1)Ge7 pentagonal bipyramids, and faces with four equivalent Gd(1)Ge7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 50-51°. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one Ge(3), two equivalent Ge(2), and three equivalent Ge(1) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Sc(1), two equivalent Sc(2), and one Ge(2) atom. In the second Ge site, Ge(1) is bonded in a 9-coordinate geometry to four equivalent Gd(1), one Sc(1), three equivalent Sc(2), and one Ge(1) atom. In the third Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Gd(1), two equivalent Sc(1), four equivalent Sc(2), and one Ge(3) atom. is represented by the CIF file [CIF]
data_Gd2Sc3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.283
_cell_length_b   7.526
_cell_length_c   14.173
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   776.763
_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  0.998  0.176  0.096  1.0
  Gd  Gd1  1  0.002  0.824  0.904  1.0
  Gd  Gd2  1  0.502  0.676  0.904  1.0
  Gd  Gd3  1  0.002  0.824  0.596  1.0
  Gd  Gd4  1  0.498  0.324  0.096  1.0
  Gd  Gd5  1  0.998  0.176  0.404  1.0
  Gd  Gd6  1  0.498  0.324  0.404  1.0
  Gd  Gd7  1  0.502  0.676  0.596  1.0
  Sc  Sc8  1  0.176  0.500  0.750  1.0
  Sc  Sc9  1  0.824  0.500  0.250  1.0
  Sc  Sc10  1  0.324  1.000  0.250  1.0
  Sc  Sc11  1  0.676  0.000  0.750  1.0
  Sc  Sc12  1  0.341  0.168  0.625  1.0
  Sc  Sc13  1  0.659  0.832  0.375  1.0
  Sc  Sc14  1  0.159  0.668  0.375  1.0
  Sc  Sc15  1  0.659  0.832  0.125  1.0
  Sc  Sc16  1  0.841  0.332  0.625  1.0
  Sc  Sc17  1  0.341  0.168  0.875  1.0
  Sc  Sc18  1  0.841  0.332  0.875  1.0
  Sc  Sc19  1  0.159  0.668  0.125  1.0
  Ge  Ge20  1  0.177  0.459  0.542  1.0
  Ge  Ge21  1  0.823  0.541  0.458  1.0
  Ge  Ge22  1  0.323  0.959  0.458  1.0
  Ge  Ge23  1  0.823  0.541  0.042  1.0
  Ge  Ge24  1  0.677  0.041  0.542  1.0
  Ge  Ge25  1  0.177  0.459  0.958  1.0
  Ge  Ge26  1  0.677  0.041  0.958  1.0
  Ge  Ge27  1  0.323  0.959  0.042  1.0
  Ge  Ge28  1  0.039  0.127  0.750  1.0
  Ge  Ge29  1  0.961  0.873  0.250  1.0
  Ge  Ge30  1  0.461  0.627  0.250  1.0
  Ge  Ge31  1  0.539  0.373  0.750  1.0
  Ge  Ge32  1  0.307  0.863  0.750  1.0
  Ge  Ge33  1  0.693  0.137  0.250  1.0
  Ge  Ge34  1  0.193  0.363  0.250  1.0
  Ge  Ge35  1  0.807  0.637  0.750  1.0
[/CIF]
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The crystal structure described by Gd2Sc3Ge4 crystallizes in the orthorhombic Pnma space group. Gd(1) is bonded to one Ge(2), two equivalent Ge(3), and four equivalent Ge(1) atoms to form distorted GdGe7 pentagonal bipyramids that share corners with four equivalent Sc(1)Ge6 octahedra, corners with six equivalent Gd(1)Ge7 pentagonal bipyramids, edges with two equivalent Gd(1)Ge7 pentagonal bipyramids, faces with two equivalent Sc(1)Ge6 octahedra, and faces with three equivalent Gd(1)Ge7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-50°. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form ScGe6 octahedra that share corners with four equivalent Sc(1)Ge6 octahedra, corners with eight equivalent Gd(1)Ge7 pentagonal bipyramids, and faces with four equivalent Gd(1)Ge7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 50-51°. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one Ge(3), two equivalent Ge(2), and three equivalent Ge(1) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Sc(1), two equivalent Sc(2), and one Ge(2) atom. In the second Ge site, Ge(1) is bonded in a 9-coordinate geometry to four equivalent Gd(1), one Sc(1), three equivalent Sc(2), and one Ge(1) atom. In the third Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Gd(1), two equivalent Sc(1), four equivalent Sc(2), and one Ge(3) atom. is represented by the CIF file [CIF]
data_Gd2Sc3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.283
_cell_length_b   7.526
_cell_length_c   14.173
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   776.763
_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  0.998  0.176  0.096  1.0
  Gd  Gd1  1  0.002  0.824  0.904  1.0
  Gd  Gd2  1  0.502  0.676  0.904  1.0
  Gd  Gd3  1  0.002  0.824  0.596  1.0
  Gd  Gd4  1  0.498  0.324  0.096  1.0
  Gd  Gd5  1  0.998  0.176  0.404  1.0
  Gd  Gd6  1  0.498  0.324  0.404  1.0
  Gd  Gd7  1  0.502  0.676  0.596  1.0
  Sc  Sc8  1  0.176  0.500  0.750  1.0
  Sc  Sc9  1  0.824  0.500  0.250  1.0
  Sc  Sc10  1  0.324  1.000  0.250  1.0
  Sc  Sc11  1  0.676  0.000  0.750  1.0
  Sc  Sc12  1  0.341  0.168  0.625  1.0
  Sc  Sc13  1  0.659  0.832  0.375  1.0
  Sc  Sc14  1  0.159  0.668  0.375  1.0
  Sc  Sc15  1  0.659  0.832  0.125  1.0
  Sc  Sc16  1  0.841  0.332  0.625  1.0
  Sc  Sc17  1  0.341  0.168  0.875  1.0
  Sc  Sc18  1  0.841  0.332  0.875  1.0
  Sc  Sc19  1  0.159  0.668  0.125  1.0
  Ge  Ge20  1  0.177  0.459  0.542  1.0
  Ge  Ge21  1  0.823  0.541  0.458  1.0
  Ge  Ge22  1  0.323  0.959  0.458  1.0
  Ge  Ge23  1  0.823  0.541  0.042  1.0
  Ge  Ge24  1  0.677  0.041  0.542  1.0
  Ge  Ge25  1  0.177  0.459  0.958  1.0
  Ge  Ge26  1  0.677  0.041  0.958  1.0
  Ge  Ge27  1  0.323  0.959  0.042  1.0
  Ge  Ge28  1  0.039  0.127  0.750  1.0
  Ge  Ge29  1  0.961  0.873  0.250  1.0
  Ge  Ge30  1  0.461  0.627  0.250  1.0
  Ge  Ge31  1  0.539  0.373  0.750  1.0
  Ge  Ge32  1  0.307  0.863  0.750  1.0
  Ge  Ge33  1  0.693  0.137  0.250  1.0
  Ge  Ge34  1  0.193  0.363  0.250  1.0
  Ge  Ge35  1  0.807  0.637  0.750  1.0
[/CIF]
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