The material described by Y4FeGa6Ge6 crystallizes in the cubic Im-3m space group. Y(1) is bonded to six equivalent Ga(1) and six equivalent Ge(1) atoms to form YGa6Ge6 cuboctahedra that share corners with twelve equivalent Y(1)Ga6Ge6 cuboctahedra, corners with twelve equivalent Ga(1)Y4Ge4 cuboctahedra, edges with six equivalent Ga(1)Y4Ge4 cuboctahedra, faces with six equivalent Y(1)Ga6Ge6 cuboctahedra, and faces with two equivalent Fe(1)Ge6 octahedra. Fe(1) is bonded to six equivalent Ge(1) atoms to form FeGe6 octahedra that share corners with twenty-four equivalent Ga(1)Y4Ge4 cuboctahedra and faces with eight equivalent Y(1)Ga6Ge6 cuboctahedra. Ga(1) is bonded to four equivalent Y(1) and four equivalent Ge(1) atoms to form distorted GaY4Ge4 cuboctahedra that share corners with eight equivalent Y(1)Ga6Ge6 cuboctahedra, corners with twelve equivalent Ga(1)Y4Ge4 cuboctahedra, corners with four equivalent Fe(1)Ge6 octahedra, edges with two equivalent Ga(1)Y4Ge4 cuboctahedra, edges with four equivalent Y(1)Ga6Ge6 cuboctahedra, and faces with four equivalent Ga(1)Y4Ge4 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. Ge(1) is bonded in a 9-coordinate geometry to four equivalent Y(1), one Fe(1), and four equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Y4Ga6FeGe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.510
_cell_length_b   7.510
_cell_length_c   7.510
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   326.076
_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  0.000  0.000  0.500  1.0
  Y  Y1  1  0.000  0.500  0.000  1.0
  Y  Y2  1  0.500  0.000  0.000  1.0
  Y  Y3  1  0.500  0.500  0.500  1.0
  Ga  Ga4  1  0.750  0.250  0.500  1.0
  Ga  Ga5  1  0.750  0.500  0.250  1.0
  Ga  Ga6  1  0.500  0.250  0.750  1.0
  Ga  Ga7  1  0.250  0.500  0.750  1.0
  Ga  Ga8  1  0.250  0.750  0.500  1.0
  Ga  Ga9  1  0.500  0.750  0.250  1.0
  Fe  Fe10  1  0.000  0.000  0.000  1.0
  Ge  Ge11  1  0.712  0.712  0.000  1.0
  Ge  Ge12  1  0.288  0.000  0.288  1.0
  Ge  Ge13  1  0.000  0.288  0.288  1.0
  Ge  Ge14  1  0.288  0.288  0.000  1.0
  Ge  Ge15  1  0.712  0.000  0.712  1.0
  Ge  Ge16  1  0.000  0.712  0.712  1.0
[/CIF]
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The material described by Y4FeGa6Ge6 crystallizes in the cubic Im-3m space group. Y(1) is bonded to six equivalent Ga(1) and six equivalent Ge(1) atoms to form YGa6Ge6 cuboctahedra that share corners with twelve equivalent Y(1)Ga6Ge6 cuboctahedra, corners with twelve equivalent Ga(1)Y4Ge4 cuboctahedra, edges with six equivalent Ga(1)Y4Ge4 cuboctahedra, faces with six equivalent Y(1)Ga6Ge6 cuboctahedra, and faces with two equivalent Fe(1)Ge6 octahedra. Fe(1) is bonded to six equivalent Ge(1) atoms to form FeGe6 octahedra that share corners with twenty-four equivalent Ga(1)Y4Ge4 cuboctahedra and faces with eight equivalent Y(1)Ga6Ge6 cuboctahedra. Ga(1) is bonded to four equivalent Y(1) and four equivalent Ge(1) atoms to form distorted GaY4Ge4 cuboctahedra that share corners with eight equivalent Y(1)Ga6Ge6 cuboctahedra, corners with twelve equivalent Ga(1)Y4Ge4 cuboctahedra, corners with four equivalent Fe(1)Ge6 octahedra, edges with two equivalent Ga(1)Y4Ge4 cuboctahedra, edges with four equivalent Y(1)Ga6Ge6 cuboctahedra, and faces with four equivalent Ga(1)Y4Ge4 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. Ge(1) is bonded in a 9-coordinate geometry to four equivalent Y(1), one Fe(1), and four equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Y4Ga6FeGe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.510
_cell_length_b   7.510
_cell_length_c   7.510
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   326.076
_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  0.000  0.000  0.500  1.0
  Y  Y1  1  0.000  0.500  0.000  1.0
  Y  Y2  1  0.500  0.000  0.000  1.0
  Y  Y3  1  0.500  0.500  0.500  1.0
  Ga  Ga4  1  0.750  0.250  0.500  1.0
  Ga  Ga5  1  0.750  0.500  0.250  1.0
  Ga  Ga6  1  0.500  0.250  0.750  1.0
  Ga  Ga7  1  0.250  0.500  0.750  1.0
  Ga  Ga8  1  0.250  0.750  0.500  1.0
  Ga  Ga9  1  0.500  0.750  0.250  1.0
  Fe  Fe10  1  0.000  0.000  0.000  1.0
  Ge  Ge11  1  0.712  0.712  0.000  1.0
  Ge  Ge12  1  0.288  0.000  0.288  1.0
  Ge  Ge13  1  0.000  0.288  0.288  1.0
  Ge  Ge14  1  0.288  0.288  0.000  1.0
  Ge  Ge15  1  0.712  0.000  0.712  1.0
  Ge  Ge16  1  0.000  0.712  0.712  1.0
[/CIF]
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