The material described by Dy4FeGa12 crystallizes in the cubic Im-3m space group. Dy(1) is bonded to six equivalent Ga(1) and six equivalent Ga(2) atoms to form DyGa12 cuboctahedra that share corners with twelve equivalent Dy(1)Ga12 cuboctahedra, edges with twelve equivalent Ga(1)Dy4Ga8 cuboctahedra, faces with six equivalent Dy(1)Ga12 cuboctahedra, faces with six equivalent Ga(1)Dy4Ga8 cuboctahedra, and faces with two equivalent Fe(1)Ga6 octahedra. Fe(1) is bonded to six equivalent Ga(2) atoms to form FeGa6 octahedra that share corners with twenty-four equivalent Ga(1)Dy4Ga8 cuboctahedra and faces with eight equivalent Dy(1)Ga12 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Dy(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaDy4Ga8 cuboctahedra that share corners with four equivalent Ga(1)Dy4Ga8 cuboctahedra, corners with four equivalent Fe(1)Ga6 octahedra, edges with eight equivalent Dy(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Dy4Ga8 cuboctahedra, faces with four equivalent Dy(1)Ga12 cuboctahedra, and faces with six equivalent Ga(1)Dy4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to four equivalent Dy(1), one Fe(1), and four equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Dy4Ga12Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.382
_cell_length_b   7.382
_cell_length_c   7.382
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   309.654
_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
  Dy  Dy0  1  0.000  0.000  0.500  1.0
  Dy  Dy1  1  0.000  0.500  0.000  1.0
  Dy  Dy2  1  0.500  0.000  0.000  1.0
  Dy  Dy3  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
  Ga  Ga10  1  0.711  0.711  0.000  1.0
  Ga  Ga11  1  0.289  0.000  0.289  1.0
  Ga  Ga12  1  0.000  0.289  0.289  1.0
  Ga  Ga13  1  0.289  0.289  0.000  1.0
  Ga  Ga14  1  0.711  0.000  0.711  1.0
  Ga  Ga15  1  0.000  0.711  0.711  1.0
  Fe  Fe16  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Dy4FeGa12 crystallizes in the cubic Im-3m space group. Dy(1) is bonded to six equivalent Ga(1) and six equivalent Ga(2) atoms to form DyGa12 cuboctahedra that share corners with twelve equivalent Dy(1)Ga12 cuboctahedra, edges with twelve equivalent Ga(1)Dy4Ga8 cuboctahedra, faces with six equivalent Dy(1)Ga12 cuboctahedra, faces with six equivalent Ga(1)Dy4Ga8 cuboctahedra, and faces with two equivalent Fe(1)Ga6 octahedra. Fe(1) is bonded to six equivalent Ga(2) atoms to form FeGa6 octahedra that share corners with twenty-four equivalent Ga(1)Dy4Ga8 cuboctahedra and faces with eight equivalent Dy(1)Ga12 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Dy(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaDy4Ga8 cuboctahedra that share corners with four equivalent Ga(1)Dy4Ga8 cuboctahedra, corners with four equivalent Fe(1)Ga6 octahedra, edges with eight equivalent Dy(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Dy4Ga8 cuboctahedra, faces with four equivalent Dy(1)Ga12 cuboctahedra, and faces with six equivalent Ga(1)Dy4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to four equivalent Dy(1), one Fe(1), and four equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Dy4Ga12Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.382
_cell_length_b   7.382
_cell_length_c   7.382
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   309.654
_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
  Dy  Dy0  1  0.000  0.000  0.500  1.0
  Dy  Dy1  1  0.000  0.500  0.000  1.0
  Dy  Dy2  1  0.500  0.000  0.000  1.0
  Dy  Dy3  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
  Ga  Ga10  1  0.711  0.711  0.000  1.0
  Ga  Ga11  1  0.289  0.000  0.289  1.0
  Ga  Ga12  1  0.000  0.289  0.289  1.0
  Ga  Ga13  1  0.289  0.289  0.000  1.0
  Ga  Ga14  1  0.711  0.000  0.711  1.0
  Ga  Ga15  1  0.000  0.711  0.711  1.0
  Fe  Fe16  1  0.000  0.000  0.000  1.0
[/CIF]
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