The compound described by ScHf5Si4 crystallizes in the tetragonal P4/m space group. Sc(1) is bonded in a square co-planar geometry to four equivalent Si(1) atoms. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to six equivalent Si(1) atoms. In the second Hf site, Hf(2) is bonded in a square co-planar geometry to four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to one Sc(1), one Hf(2), six equivalent Hf(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf5ScSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.028
_cell_length_b   7.028
_cell_length_c   3.711
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   183.289
_cell_formula_units_Z   1
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
  Hf  Hf0  1  0.675  0.169  0.500  1.0
  Hf  Hf1  1  0.325  0.831  0.500  1.0
  Hf  Hf2  1  0.169  0.325  0.500  1.0
  Hf  Hf3  1  0.831  0.675  0.500  1.0
  Hf  Hf4  1  0.000  0.000  0.000  1.0
  Sc  Sc5  1  0.500  0.500  0.000  1.0
  Si  Si6  1  0.124  0.624  0.000  1.0
  Si  Si7  1  0.876  0.376  0.000  1.0
  Si  Si8  1  0.624  0.876  0.000  1.0
  Si  Si9  1  0.376  0.124  0.000  1.0
[/CIF]
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The compound described by ScHf5Si4 crystallizes in the tetragonal P4/m space group. Sc(1) is bonded in a square co-planar geometry to four equivalent Si(1) atoms. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to six equivalent Si(1) atoms. In the second Hf site, Hf(2) is bonded in a square co-planar geometry to four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to one Sc(1), one Hf(2), six equivalent Hf(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf5ScSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.028
_cell_length_b   7.028
_cell_length_c   3.711
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   183.289
_cell_formula_units_Z   1
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
  Hf  Hf0  1  0.675  0.169  0.500  1.0
  Hf  Hf1  1  0.325  0.831  0.500  1.0
  Hf  Hf2  1  0.169  0.325  0.500  1.0
  Hf  Hf3  1  0.831  0.675  0.500  1.0
  Hf  Hf4  1  0.000  0.000  0.000  1.0
  Sc  Sc5  1  0.500  0.500  0.000  1.0
  Si  Si6  1  0.124  0.624  0.000  1.0
  Si  Si7  1  0.876  0.376  0.000  1.0
  Si  Si8  1  0.624  0.876  0.000  1.0
  Si  Si9  1  0.376  0.124  0.000  1.0
[/CIF]
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