The structure described by Sc2FeSi2 crystallizes in the monoclinic C2/m 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 Fe(1), one Si(2), and five equivalent Si(1) atoms. In the second Sc site, Sc(2) is bonded in a 10-coordinate geometry to four equivalent Fe(1), two equivalent Si(1), and five equivalent Si(2) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), one Si(1), and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Sc(2), five equivalent Sc(1), one Fe(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Sc(1), five equivalent Sc(2), three equivalent Fe(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Sc2FeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.979
_cell_length_b   5.310
_cell_length_c   8.484
_cell_angle_alpha   82.413
_cell_angle_beta   76.439
_cell_angle_gamma   67.996
_symmetry_Int_Tables_number   1
_cell_volume   161.360
_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  0.815  0.263  0.108  1.0
  Sc  Sc1  1  0.999  0.672  0.329  1.0
  Sc  Sc2  1  0.185  0.737  0.892  1.0
  Sc  Sc3  1  0.001  0.328  0.671  1.0
  Fe  Fe4  1  0.730  0.914  0.625  1.0
  Fe  Fe5  1  0.270  0.086  0.375  1.0
  Si  Si6  1  0.494  0.138  0.873  1.0
  Si  Si7  1  0.352  0.730  0.565  1.0
  Si  Si8  1  0.506  0.862  0.127  1.0
  Si  Si9  1  0.648  0.270  0.435  1.0
[/CIF]
.
The structure described by Sc2FeSi2 crystallizes in the monoclinic C2/m 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 Fe(1), one Si(2), and five equivalent Si(1) atoms. In the second Sc site, Sc(2) is bonded in a 10-coordinate geometry to four equivalent Fe(1), two equivalent Si(1), and five equivalent Si(2) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), one Si(1), and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Sc(2), five equivalent Sc(1), one Fe(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Sc(1), five equivalent Sc(2), three equivalent Fe(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Sc2FeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.979
_cell_length_b   5.310
_cell_length_c   8.484
_cell_angle_alpha   82.413
_cell_angle_beta   76.439
_cell_angle_gamma   67.996
_symmetry_Int_Tables_number   1
_cell_volume   161.360
_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  0.815  0.263  0.108  1.0
  Sc  Sc1  1  0.999  0.672  0.329  1.0
  Sc  Sc2  1  0.185  0.737  0.892  1.0
  Sc  Sc3  1  0.001  0.328  0.671  1.0
  Fe  Fe4  1  0.730  0.914  0.625  1.0
  Fe  Fe5  1  0.270  0.086  0.375  1.0
  Si  Si6  1  0.494  0.138  0.873  1.0
  Si  Si7  1  0.352  0.730  0.565  1.0
  Si  Si8  1  0.506  0.862  0.127  1.0
  Si  Si9  1  0.648  0.270  0.435  1.0
[/CIF]
.