The material described by Dy2Fe12Al5 crystallizes in the trigonal R3m space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 19-coordinate geometry to three equivalent Fe(1), six equivalent Fe(2), six equivalent Fe(3), one Al(1), and three equivalent Al(3) atoms. In the second Dy site, Dy(2) is bonded in a 19-coordinate geometry to three equivalent Fe(1), three equivalent Fe(2), six equivalent Fe(3), one Al(2), and six equivalent Al(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to one Dy(1), one Dy(2), two equivalent Fe(2), four equivalent Fe(3), one Al(1), one Al(2), and two equivalent Al(3) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to one Dy(2), two equivalent Dy(1), two equivalent Fe(1), four equivalent Fe(3), one Al(1), and two equivalent Al(3) atoms. In the third Fe site, Fe(3) is bonded to one Dy(1), one Dy(2), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), one Al(1), one Al(2), and two equivalent Al(3) atoms to form distorted FeDy2Al4Fe6 cuboctahedra that share corners with four equivalent Al(3)Dy3AlFe8 cuboctahedra, corners with twelve equivalent Fe(3)Dy2Al4Fe6 cuboctahedra,  an edgeedge with one Fe(3)Dy2Al4Fe6 cuboctahedra,  an edgeedge with one Al(3)Dy3AlFe8 cuboctahedra, faces with five equivalent Al(3)Dy3AlFe8 cuboctahedra, and faces with seven equivalent Fe(3)Dy2Al4Fe6 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 14-coordinate geometry to one Dy(1), three equivalent Fe(1), three equivalent Fe(2), six equivalent Fe(3), and one Al(2) atom. In the second Al site, Al(2) is bonded in a 14-coordinate geometry to one Dy(2), three equivalent Fe(1), six equivalent Fe(3), one Al(1), and three equivalent Al(3) atoms. In the third Al site, Al(3) is bonded to one Dy(1), two equivalent Dy(2), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and one Al(2) atom to form distorted AlDy3AlFe8 cuboctahedra that share corners with two equivalent Al(3)Dy3AlFe8 cuboctahedra, corners with eight equivalent Fe(3)Dy2Al4Fe6 cuboctahedra, edges with two equivalent Fe(3)Dy2Al4Fe6 cuboctahedra, edges with four equivalent Al(3)Dy3AlFe8 cuboctahedra, faces with four equivalent Al(3)Dy3AlFe8 cuboctahedra, and faces with ten equivalent Fe(3)Dy2Al4Fe6 cuboctahedra. is represented by the CIF card [CIF]
data_Dy2Al5Fe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.457
_cell_length_b   6.457
_cell_length_c   6.457
_cell_angle_alpha   82.628
_cell_angle_beta   82.628
_cell_angle_gamma   82.628
_symmetry_Int_Tables_number   1
_cell_volume   263.096
_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  0.662  0.662  0.662  1.0
  Dy  Dy1  1  0.348  0.348  0.348  1.0
  Al  Al2  1  0.898  0.898  0.898  1.0
  Al  Al3  1  0.102  0.102  0.102  1.0
  Al  Al4  1  0.351  0.351  0.839  1.0
  Al  Al5  1  0.839  0.351  0.351  1.0
  Al  Al6  1  0.351  0.839  0.351  1.0
  Fe  Fe7  1  0.998  0.998  0.498  1.0
  Fe  Fe8  1  0.498  0.998  0.998  1.0
  Fe  Fe9  1  0.998  0.498  0.998  1.0
  Fe  Fe10  1  0.659  0.659  0.141  1.0
  Fe  Fe11  1  0.141  0.659  0.659  1.0
  Fe  Fe12  1  0.659  0.141  0.659  1.0
  Fe  Fe13  1  0.708  0.291  0.999  1.0
  Fe  Fe14  1  0.999  0.708  0.291  1.0
  Fe  Fe15  1  0.291  0.999  0.708  1.0
  Fe  Fe16  1  0.999  0.291  0.708  1.0
  Fe  Fe17  1  0.708  0.999  0.291  1.0
  Fe  Fe18  1  0.291  0.708  0.999  1.0
[/CIF]
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The material described by Dy2Fe12Al5 crystallizes in the trigonal R3m space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 19-coordinate geometry to three equivalent Fe(1), six equivalent Fe(2), six equivalent Fe(3), one Al(1), and three equivalent Al(3) atoms. In the second Dy site, Dy(2) is bonded in a 19-coordinate geometry to three equivalent Fe(1), three equivalent Fe(2), six equivalent Fe(3), one Al(2), and six equivalent Al(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to one Dy(1), one Dy(2), two equivalent Fe(2), four equivalent Fe(3), one Al(1), one Al(2), and two equivalent Al(3) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to one Dy(2), two equivalent Dy(1), two equivalent Fe(1), four equivalent Fe(3), one Al(1), and two equivalent Al(3) atoms. In the third Fe site, Fe(3) is bonded to one Dy(1), one Dy(2), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), one Al(1), one Al(2), and two equivalent Al(3) atoms to form distorted FeDy2Al4Fe6 cuboctahedra that share corners with four equivalent Al(3)Dy3AlFe8 cuboctahedra, corners with twelve equivalent Fe(3)Dy2Al4Fe6 cuboctahedra,  an edgeedge with one Fe(3)Dy2Al4Fe6 cuboctahedra,  an edgeedge with one Al(3)Dy3AlFe8 cuboctahedra, faces with five equivalent Al(3)Dy3AlFe8 cuboctahedra, and faces with seven equivalent Fe(3)Dy2Al4Fe6 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 14-coordinate geometry to one Dy(1), three equivalent Fe(1), three equivalent Fe(2), six equivalent Fe(3), and one Al(2) atom. In the second Al site, Al(2) is bonded in a 14-coordinate geometry to one Dy(2), three equivalent Fe(1), six equivalent Fe(3), one Al(1), and three equivalent Al(3) atoms. In the third Al site, Al(3) is bonded to one Dy(1), two equivalent Dy(2), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and one Al(2) atom to form distorted AlDy3AlFe8 cuboctahedra that share corners with two equivalent Al(3)Dy3AlFe8 cuboctahedra, corners with eight equivalent Fe(3)Dy2Al4Fe6 cuboctahedra, edges with two equivalent Fe(3)Dy2Al4Fe6 cuboctahedra, edges with four equivalent Al(3)Dy3AlFe8 cuboctahedra, faces with four equivalent Al(3)Dy3AlFe8 cuboctahedra, and faces with ten equivalent Fe(3)Dy2Al4Fe6 cuboctahedra. is represented by the CIF card [CIF]
data_Dy2Al5Fe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.457
_cell_length_b   6.457
_cell_length_c   6.457
_cell_angle_alpha   82.628
_cell_angle_beta   82.628
_cell_angle_gamma   82.628
_symmetry_Int_Tables_number   1
_cell_volume   263.096
_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  0.662  0.662  0.662  1.0
  Dy  Dy1  1  0.348  0.348  0.348  1.0
  Al  Al2  1  0.898  0.898  0.898  1.0
  Al  Al3  1  0.102  0.102  0.102  1.0
  Al  Al4  1  0.351  0.351  0.839  1.0
  Al  Al5  1  0.839  0.351  0.351  1.0
  Al  Al6  1  0.351  0.839  0.351  1.0
  Fe  Fe7  1  0.998  0.998  0.498  1.0
  Fe  Fe8  1  0.498  0.998  0.998  1.0
  Fe  Fe9  1  0.998  0.498  0.998  1.0
  Fe  Fe10  1  0.659  0.659  0.141  1.0
  Fe  Fe11  1  0.141  0.659  0.659  1.0
  Fe  Fe12  1  0.659  0.141  0.659  1.0
  Fe  Fe13  1  0.708  0.291  0.999  1.0
  Fe  Fe14  1  0.999  0.708  0.291  1.0
  Fe  Fe15  1  0.291  0.999  0.708  1.0
  Fe  Fe16  1  0.999  0.291  0.708  1.0
  Fe  Fe17  1  0.708  0.999  0.291  1.0
  Fe  Fe18  1  0.291  0.708  0.999  1.0
[/CIF]
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