The material described by YScFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. Y(1) is bonded in a 16-coordinate geometry to four equivalent Sc(1) and twelve equivalent Fe(1) atoms. Sc(1) is bonded in a 16-coordinate geometry to four equivalent Y(1) and twelve equivalent Fe(1) atoms. Fe(1) is bonded to three equivalent Y(1), three equivalent Sc(1), and six equivalent Fe(1) atoms to form a mixture of corner, face, and edge-sharing FeY3Sc3Fe6 cuboctahedra. is represented by the CIF card [CIF]
data_YScFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.101
_cell_length_b   5.101
_cell_length_c   5.101
_cell_angle_alpha   90.000
_cell_angle_beta   60.001
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   93.845
_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
  Y  Y0  1  1.000  1.000  0.000  1.0
  Sc  Sc1  1  0.500  0.750  0.750  1.0
  Fe  Fe2  1  0.751  0.375  0.874  1.0
  Fe  Fe3  1  0.249  0.375  0.375  1.0
  Fe  Fe4  1  0.249  0.874  0.375  1.0
  Fe  Fe5  1  0.751  0.375  0.375  1.0
[/CIF]
.
The material described by YScFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. Y(1) is bonded in a 16-coordinate geometry to four equivalent Sc(1) and twelve equivalent Fe(1) atoms. Sc(1) is bonded in a 16-coordinate geometry to four equivalent Y(1) and twelve equivalent Fe(1) atoms. Fe(1) is bonded to three equivalent Y(1), three equivalent Sc(1), and six equivalent Fe(1) atoms to form a mixture of corner, face, and edge-sharing FeY3Sc3Fe6 cuboctahedra. is represented by the CIF card [CIF]
data_YScFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.101
_cell_length_b   5.101
_cell_length_c   5.101
_cell_angle_alpha   90.000
_cell_angle_beta   60.001
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   93.845
_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
  Y  Y0  1  1.000  1.000  0.000  1.0
  Sc  Sc1  1  0.500  0.750  0.750  1.0
  Fe  Fe2  1  0.751  0.375  0.874  1.0
  Fe  Fe3  1  0.249  0.375  0.375  1.0
  Fe  Fe4  1  0.249  0.874  0.375  1.0
  Fe  Fe5  1  0.751  0.375  0.375  1.0
[/CIF]
.