The compound described by Sc(FeGe)6 crystallizes in the hexagonal P6/mmm space group. Sc(1) is bonded to twelve equivalent Fe(1), two equivalent Ge(3), and six equivalent Ge(2) atoms to form distorted face-sharing ScFe12Ge8 hexagonal bipyramids. Fe(1) is bonded in a 12-coordinate geometry to two equivalent Sc(1), four equivalent Fe(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1) and six equivalent Fe(1) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Sc(1), six equivalent Fe(1), and one Ge(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc(FeGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.053
_cell_length_b   5.053
_cell_length_c   8.138
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   179.946
_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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.249  1.0
  Fe  Fe2  1  0.500  0.500  0.249  1.0
  Fe  Fe3  1  0.000  0.500  0.249  1.0
  Fe  Fe4  1  0.500  0.000  0.751  1.0
  Fe  Fe5  1  0.500  0.500  0.751  1.0
  Fe  Fe6  1  0.000  0.500  0.751  1.0
  Ge  Ge7  1  0.333  0.667  0.500  1.0
  Ge  Ge8  1  0.667  0.333  0.500  1.0
  Ge  Ge9  1  0.333  0.667  0.000  1.0
  Ge  Ge10  1  0.667  0.333  0.000  1.0
  Ge  Ge11  1  0.000  0.000  0.657  1.0
  Ge  Ge12  1  0.000  0.000  0.343  1.0
[/CIF]
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The compound described by Sc(FeGe)6 crystallizes in the hexagonal P6/mmm space group. Sc(1) is bonded to twelve equivalent Fe(1), two equivalent Ge(3), and six equivalent Ge(2) atoms to form distorted face-sharing ScFe12Ge8 hexagonal bipyramids. Fe(1) is bonded in a 12-coordinate geometry to two equivalent Sc(1), four equivalent Fe(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1) and six equivalent Fe(1) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Sc(1), six equivalent Fe(1), and one Ge(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc(FeGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.053
_cell_length_b   5.053
_cell_length_c   8.138
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   179.946
_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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.249  1.0
  Fe  Fe2  1  0.500  0.500  0.249  1.0
  Fe  Fe3  1  0.000  0.500  0.249  1.0
  Fe  Fe4  1  0.500  0.000  0.751  1.0
  Fe  Fe5  1  0.500  0.500  0.751  1.0
  Fe  Fe6  1  0.000  0.500  0.751  1.0
  Ge  Ge7  1  0.333  0.667  0.500  1.0
  Ge  Ge8  1  0.667  0.333  0.500  1.0
  Ge  Ge9  1  0.333  0.667  0.000  1.0
  Ge  Ge10  1  0.667  0.333  0.000  1.0
  Ge  Ge11  1  0.000  0.000  0.657  1.0
  Ge  Ge12  1  0.000  0.000  0.343  1.0
[/CIF]
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