The crystal structure described by ScFeSi crystallizes in the orthorhombic Pnma space group. Sc(1) is bonded in a 9-coordinate geometry to four equivalent Fe(1) and six equivalent Si(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Sc(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 10-coordinate geometry to six equivalent Sc(1) and four equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_ScFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.054
_cell_length_b   6.535
_cell_length_c   6.664
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   176.560
_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  0.750  0.513  0.809  1.0
  Sc  Sc1  1  0.250  0.987  0.309  1.0
  Sc  Sc2  1  0.750  0.013  0.691  1.0
  Sc  Sc3  1  0.250  0.487  0.191  1.0
  Fe  Fe4  1  0.250  0.654  0.562  1.0
  Fe  Fe5  1  0.250  0.154  0.938  1.0
  Fe  Fe6  1  0.750  0.846  0.062  1.0
  Fe  Fe7  1  0.750  0.346  0.438  1.0
  Si  Si8  1  0.250  0.799  0.892  1.0
  Si  Si9  1  0.250  0.299  0.608  1.0
  Si  Si10  1  0.750  0.201  0.108  1.0
  Si  Si11  1  0.750  0.701  0.392  1.0
[/CIF]
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The crystal structure described by ScFeSi crystallizes in the orthorhombic Pnma space group. Sc(1) is bonded in a 9-coordinate geometry to four equivalent Fe(1) and six equivalent Si(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Sc(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 10-coordinate geometry to six equivalent Sc(1) and four equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_ScFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.054
_cell_length_b   6.535
_cell_length_c   6.664
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   176.560
_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  0.750  0.513  0.809  1.0
  Sc  Sc1  1  0.250  0.987  0.309  1.0
  Sc  Sc2  1  0.750  0.013  0.691  1.0
  Sc  Sc3  1  0.250  0.487  0.191  1.0
  Fe  Fe4  1  0.250  0.654  0.562  1.0
  Fe  Fe5  1  0.250  0.154  0.938  1.0
  Fe  Fe6  1  0.750  0.846  0.062  1.0
  Fe  Fe7  1  0.750  0.346  0.438  1.0
  Si  Si8  1  0.250  0.799  0.892  1.0
  Si  Si9  1  0.250  0.299  0.608  1.0
  Si  Si10  1  0.750  0.201  0.108  1.0
  Si  Si11  1  0.750  0.701  0.392  1.0
[/CIF]
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