The compound described by Sc11Ga10 crystallizes in the tetragonal I4/mmm space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 8-coordinate geometry to four equivalent Ga(1) and four equivalent Ga(3) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to one Ga(3), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(5) atoms. In the third Sc site, Sc(3) is bonded in a 7-coordinate geometry to one Ga(4), two equivalent Ga(1), two equivalent Ga(3), and two equivalent Ga(5) atoms. In the fourth Sc site, Sc(4) is bonded to one Ga(2), one Ga(4), one Ga(5), and four equivalent Ga(1) atoms to form a mixture of distorted edge, face, and corner-sharing ScGa7 pentagonal bipyramids. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one Sc(1), one Sc(2), two equivalent Sc(3), four equivalent Sc(4), one Ga(1), and one Ga(3) atom. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to four equivalent Sc(2) and four equivalent Sc(4) atoms. In the third Ga site, Ga(3) is bonded in a 11-coordinate geometry to one Sc(2), two equivalent Sc(1), four equivalent Sc(3), two equivalent Ga(1), and two equivalent Ga(3) atoms. In the fourth Ga site, Ga(4) is bonded in a 8-coordinate geometry to four equivalent Sc(3) and four equivalent Sc(4) atoms. In the fifth Ga site, Ga(5) is bonded in a 9-coordinate geometry to two equivalent Sc(2), two equivalent Sc(4), four equivalent Sc(3), and one Ga(5) atom. is represented by the CIF card [CIF]
data_Sc11Ga10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.621
_cell_length_b   10.621
_cell_length_c   10.621
_cell_angle_alpha   121.392
_cell_angle_beta   121.392
_cell_angle_gamma   87.606
_symmetry_Int_Tables_number   1
_cell_volume   828.678
_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
  Sc  Sc0  1  0.167  0.167  0.000  1.0
  Sc  Sc1  1  0.833  0.833  0.000  1.0
  Sc  Sc2  1  0.322  0.322  0.644  1.0
  Sc  Sc3  1  0.678  0.678  0.356  1.0
  Sc  Sc4  1  0.322  0.678  0.000  1.0
  Sc  Sc5  1  0.678  0.322  0.000  1.0
  Sc  Sc6  1  0.432  0.105  0.327  1.0
  Sc  Sc7  1  0.568  0.895  0.673  1.0
  Sc  Sc8  1  0.777  0.105  0.673  1.0
  Sc  Sc9  1  0.105  0.777  0.673  1.0
  Sc  Sc10  1  0.223  0.895  0.327  1.0
  Sc  Sc11  1  0.895  0.223  0.327  1.0
  Sc  Sc12  1  0.105  0.432  0.327  1.0
  Sc  Sc13  1  0.895  0.568  0.673  1.0
  Sc  Sc14  1  0.561  0.314  0.246  1.0
  Sc  Sc15  1  0.439  0.686  0.754  1.0
  Sc  Sc16  1  0.068  0.314  0.754  1.0
  Sc  Sc17  1  0.314  0.068  0.754  1.0
  Sc  Sc18  1  0.932  0.686  0.246  1.0
  Sc  Sc19  1  0.686  0.932  0.246  1.0
  Sc  Sc20  1  0.314  0.561  0.246  1.0
  Sc  Sc21  1  0.686  0.439  0.754  1.0
  Ga  Ga22  1  0.383  0.383  0.413  1.0
  Ga  Ga23  1  0.617  0.617  0.587  1.0
  Ga  Ga24  1  0.970  0.970  0.587  1.0
  Ga  Ga25  1  0.383  0.970  0.000  1.0
  Ga  Ga26  1  0.030  0.617  0.000  1.0
  Ga  Ga27  1  0.030  0.030  0.413  1.0
  Ga  Ga28  1  0.617  0.030  0.000  1.0
  Ga  Ga29  1  0.970  0.383  0.000  1.0
  Ga  Ga30  1  0.397  0.397  0.000  1.0
  Ga  Ga31  1  0.603  0.603  0.000  1.0
  Ga  Ga32  1  0.124  0.124  0.249  1.0
  Ga  Ga33  1  0.876  0.876  0.751  1.0
  Ga  Ga34  1  0.124  0.876  0.000  1.0
  Ga  Ga35  1  0.876  0.124  0.000  1.0
  Ga  Ga36  1  0.750  0.250  0.500  1.0
  Ga  Ga37  1  0.250  0.750  0.500  1.0
  Ga  Ga38  1  0.500  0.132  0.632  1.0
  Ga  Ga39  1  0.500  0.868  0.368  1.0
  Ga  Ga40  1  0.132  0.500  0.632  1.0
  Ga  Ga41  1  0.868  0.500  0.368  1.0
[/CIF]
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The compound described by Sc11Ga10 crystallizes in the tetragonal I4/mmm space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 8-coordinate geometry to four equivalent Ga(1) and four equivalent Ga(3) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to one Ga(3), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(5) atoms. In the third Sc site, Sc(3) is bonded in a 7-coordinate geometry to one Ga(4), two equivalent Ga(1), two equivalent Ga(3), and two equivalent Ga(5) atoms. In the fourth Sc site, Sc(4) is bonded to one Ga(2), one Ga(4), one Ga(5), and four equivalent Ga(1) atoms to form a mixture of distorted edge, face, and corner-sharing ScGa7 pentagonal bipyramids. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one Sc(1), one Sc(2), two equivalent Sc(3), four equivalent Sc(4), one Ga(1), and one Ga(3) atom. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to four equivalent Sc(2) and four equivalent Sc(4) atoms. In the third Ga site, Ga(3) is bonded in a 11-coordinate geometry to one Sc(2), two equivalent Sc(1), four equivalent Sc(3), two equivalent Ga(1), and two equivalent Ga(3) atoms. In the fourth Ga site, Ga(4) is bonded in a 8-coordinate geometry to four equivalent Sc(3) and four equivalent Sc(4) atoms. In the fifth Ga site, Ga(5) is bonded in a 9-coordinate geometry to two equivalent Sc(2), two equivalent Sc(4), four equivalent Sc(3), and one Ga(5) atom. is represented by the CIF card [CIF]
data_Sc11Ga10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.621
_cell_length_b   10.621
_cell_length_c   10.621
_cell_angle_alpha   121.392
_cell_angle_beta   121.392
_cell_angle_gamma   87.606
_symmetry_Int_Tables_number   1
_cell_volume   828.678
_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
  Sc  Sc0  1  0.167  0.167  0.000  1.0
  Sc  Sc1  1  0.833  0.833  0.000  1.0
  Sc  Sc2  1  0.322  0.322  0.644  1.0
  Sc  Sc3  1  0.678  0.678  0.356  1.0
  Sc  Sc4  1  0.322  0.678  0.000  1.0
  Sc  Sc5  1  0.678  0.322  0.000  1.0
  Sc  Sc6  1  0.432  0.105  0.327  1.0
  Sc  Sc7  1  0.568  0.895  0.673  1.0
  Sc  Sc8  1  0.777  0.105  0.673  1.0
  Sc  Sc9  1  0.105  0.777  0.673  1.0
  Sc  Sc10  1  0.223  0.895  0.327  1.0
  Sc  Sc11  1  0.895  0.223  0.327  1.0
  Sc  Sc12  1  0.105  0.432  0.327  1.0
  Sc  Sc13  1  0.895  0.568  0.673  1.0
  Sc  Sc14  1  0.561  0.314  0.246  1.0
  Sc  Sc15  1  0.439  0.686  0.754  1.0
  Sc  Sc16  1  0.068  0.314  0.754  1.0
  Sc  Sc17  1  0.314  0.068  0.754  1.0
  Sc  Sc18  1  0.932  0.686  0.246  1.0
  Sc  Sc19  1  0.686  0.932  0.246  1.0
  Sc  Sc20  1  0.314  0.561  0.246  1.0
  Sc  Sc21  1  0.686  0.439  0.754  1.0
  Ga  Ga22  1  0.383  0.383  0.413  1.0
  Ga  Ga23  1  0.617  0.617  0.587  1.0
  Ga  Ga24  1  0.970  0.970  0.587  1.0
  Ga  Ga25  1  0.383  0.970  0.000  1.0
  Ga  Ga26  1  0.030  0.617  0.000  1.0
  Ga  Ga27  1  0.030  0.030  0.413  1.0
  Ga  Ga28  1  0.617  0.030  0.000  1.0
  Ga  Ga29  1  0.970  0.383  0.000  1.0
  Ga  Ga30  1  0.397  0.397  0.000  1.0
  Ga  Ga31  1  0.603  0.603  0.000  1.0
  Ga  Ga32  1  0.124  0.124  0.249  1.0
  Ga  Ga33  1  0.876  0.876  0.751  1.0
  Ga  Ga34  1  0.124  0.876  0.000  1.0
  Ga  Ga35  1  0.876  0.124  0.000  1.0
  Ga  Ga36  1  0.750  0.250  0.500  1.0
  Ga  Ga37  1  0.250  0.750  0.500  1.0
  Ga  Ga38  1  0.500  0.132  0.632  1.0
  Ga  Ga39  1  0.500  0.868  0.368  1.0
  Ga  Ga40  1  0.132  0.500  0.632  1.0
  Ga  Ga41  1  0.868  0.500  0.368  1.0
[/CIF]
.