The crystal structure described by ScFeGe crystallizes in the hexagonal P-62m space group. Sc(1) is bonded in a 11-coordinate geometry to six equivalent Fe(1), one Ge(1), and four equivalent Ge(2) atoms. Fe(1) is bonded to six equivalent Sc(1), two equivalent Fe(1), two equivalent Ge(1), and two equivalent Ge(2) atoms to form a mixture of distorted face, corner, and edge-sharing FeSc6Fe2Ge4 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted q6 geometry to three equivalent Sc(1) and six equivalent Fe(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to six equivalent Sc(1) and three equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScFeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.585
_cell_length_b   6.585
_cell_length_c   3.952
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   148.408
_cell_formula_units_Z   3
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  0.584  1.000  0.500  1.0
  Sc  Sc1  1  0.416  0.416  0.500  1.0
  Sc  Sc2  1  0.000  0.584  0.500  1.0
  Fe  Fe3  1  0.229  1.000  0.000  1.0
  Fe  Fe4  1  0.771  0.771  0.000  1.0
  Fe  Fe5  1  1.000  0.229  0.000  1.0
  Ge  Ge6  1  1.000  0.000  0.500  1.0
  Ge  Ge7  1  0.333  0.667  0.000  1.0
  Ge  Ge8  1  0.667  0.333  0.000  1.0
[/CIF]
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The crystal structure described by ScFeGe crystallizes in the hexagonal P-62m space group. Sc(1) is bonded in a 11-coordinate geometry to six equivalent Fe(1), one Ge(1), and four equivalent Ge(2) atoms. Fe(1) is bonded to six equivalent Sc(1), two equivalent Fe(1), two equivalent Ge(1), and two equivalent Ge(2) atoms to form a mixture of distorted face, corner, and edge-sharing FeSc6Fe2Ge4 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted q6 geometry to three equivalent Sc(1) and six equivalent Fe(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to six equivalent Sc(1) and three equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScFeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.585
_cell_length_b   6.585
_cell_length_c   3.952
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   148.408
_cell_formula_units_Z   3
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  0.584  1.000  0.500  1.0
  Sc  Sc1  1  0.416  0.416  0.500  1.0
  Sc  Sc2  1  0.000  0.584  0.500  1.0
  Fe  Fe3  1  0.229  1.000  0.000  1.0
  Fe  Fe4  1  0.771  0.771  0.000  1.0
  Fe  Fe5  1  1.000  0.229  0.000  1.0
  Ge  Ge6  1  1.000  0.000  0.500  1.0
  Ge  Ge7  1  0.333  0.667  0.000  1.0
  Ge  Ge8  1  0.667  0.333  0.000  1.0
[/CIF]
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