The structure described by Sc3(NbSi2)2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. 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. Nb(1) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(2), and four 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 Sc(1), four equivalent Sc(2), two equivalent Nb(1), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), four equivalent Nb(1), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Sc(1), three equivalent Sc(2), four equivalent Nb(1), and one Si(3) atom. is represented by the CIF file [CIF]
data_Sc3(NbSi2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.740
_cell_length_b   6.987
_cell_length_c   13.167
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   620.087
_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
  Sc  Sc0  1  0.158  0.506  0.750  1.0
  Sc  Sc1  1  0.842  0.494  0.250  1.0
  Sc  Sc2  1  0.342  0.006  0.250  1.0
  Sc  Sc3  1  0.658  0.994  0.750  1.0
  Sc  Sc4  1  0.337  0.174  0.625  1.0
  Sc  Sc5  1  0.663  0.826  0.375  1.0
  Sc  Sc6  1  0.163  0.674  0.375  1.0
  Sc  Sc7  1  0.663  0.826  0.125  1.0
  Sc  Sc8  1  0.837  0.326  0.625  1.0
  Sc  Sc9  1  0.337  0.174  0.875  1.0
  Sc  Sc10  1  0.837  0.326  0.875  1.0
  Sc  Sc11  1  0.163  0.674  0.125  1.0
  Nb  Nb12  1  0.005  0.180  0.097  1.0
  Nb  Nb13  1  0.995  0.820  0.903  1.0
  Nb  Nb14  1  0.495  0.680  0.903  1.0
  Nb  Nb15  1  0.995  0.820  0.597  1.0
  Nb  Nb16  1  0.505  0.320  0.097  1.0
  Nb  Nb17  1  0.005  0.180  0.403  1.0
  Nb  Nb18  1  0.505  0.320  0.403  1.0
  Nb  Nb19  1  0.495  0.680  0.597  1.0
  Si  Si20  1  0.033  0.093  0.750  1.0
  Si  Si21  1  0.967  0.907  0.250  1.0
  Si  Si22  1  0.467  0.593  0.250  1.0
  Si  Si23  1  0.533  0.407  0.750  1.0
  Si  Si24  1  0.288  0.859  0.750  1.0
  Si  Si25  1  0.712  0.141  0.250  1.0
  Si  Si26  1  0.212  0.359  0.250  1.0
  Si  Si27  1  0.788  0.641  0.750  1.0
  Si  Si28  1  0.174  0.467  0.538  1.0
  Si  Si29  1  0.826  0.533  0.462  1.0
  Si  Si30  1  0.326  0.967  0.462  1.0
  Si  Si31  1  0.826  0.533  0.038  1.0
  Si  Si32  1  0.674  0.033  0.538  1.0
  Si  Si33  1  0.174  0.467  0.962  1.0
  Si  Si34  1  0.674  0.033  0.962  1.0
  Si  Si35  1  0.326  0.967  0.038  1.0
[/CIF]
.
The structure described by Sc3(NbSi2)2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. 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. Nb(1) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(2), and four 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 Sc(1), four equivalent Sc(2), two equivalent Nb(1), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), four equivalent Nb(1), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Sc(1), three equivalent Sc(2), four equivalent Nb(1), and one Si(3) atom. is represented by the CIF file [CIF]
data_Sc3(NbSi2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.740
_cell_length_b   6.987
_cell_length_c   13.167
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   620.087
_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
  Sc  Sc0  1  0.158  0.506  0.750  1.0
  Sc  Sc1  1  0.842  0.494  0.250  1.0
  Sc  Sc2  1  0.342  0.006  0.250  1.0
  Sc  Sc3  1  0.658  0.994  0.750  1.0
  Sc  Sc4  1  0.337  0.174  0.625  1.0
  Sc  Sc5  1  0.663  0.826  0.375  1.0
  Sc  Sc6  1  0.163  0.674  0.375  1.0
  Sc  Sc7  1  0.663  0.826  0.125  1.0
  Sc  Sc8  1  0.837  0.326  0.625  1.0
  Sc  Sc9  1  0.337  0.174  0.875  1.0
  Sc  Sc10  1  0.837  0.326  0.875  1.0
  Sc  Sc11  1  0.163  0.674  0.125  1.0
  Nb  Nb12  1  0.005  0.180  0.097  1.0
  Nb  Nb13  1  0.995  0.820  0.903  1.0
  Nb  Nb14  1  0.495  0.680  0.903  1.0
  Nb  Nb15  1  0.995  0.820  0.597  1.0
  Nb  Nb16  1  0.505  0.320  0.097  1.0
  Nb  Nb17  1  0.005  0.180  0.403  1.0
  Nb  Nb18  1  0.505  0.320  0.403  1.0
  Nb  Nb19  1  0.495  0.680  0.597  1.0
  Si  Si20  1  0.033  0.093  0.750  1.0
  Si  Si21  1  0.967  0.907  0.250  1.0
  Si  Si22  1  0.467  0.593  0.250  1.0
  Si  Si23  1  0.533  0.407  0.750  1.0
  Si  Si24  1  0.288  0.859  0.750  1.0
  Si  Si25  1  0.712  0.141  0.250  1.0
  Si  Si26  1  0.212  0.359  0.250  1.0
  Si  Si27  1  0.788  0.641  0.750  1.0
  Si  Si28  1  0.174  0.467  0.538  1.0
  Si  Si29  1  0.826  0.533  0.462  1.0
  Si  Si30  1  0.326  0.967  0.462  1.0
  Si  Si31  1  0.826  0.533  0.038  1.0
  Si  Si32  1  0.674  0.033  0.538  1.0
  Si  Si33  1  0.174  0.467  0.962  1.0
  Si  Si34  1  0.674  0.033  0.962  1.0
  Si  Si35  1  0.326  0.967  0.038  1.0
[/CIF]
.