The material described by Er2Fe14Al3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 18-coordinate geometry to six equivalent Fe(2) and twelve equivalent Fe(3) atoms. In the second Er site, Er(2) is bonded in a 20-coordinate geometry to two equivalent Fe(1), six equivalent Fe(2), six equivalent Fe(3), and six equivalent Al(1) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to one Er(2), one Fe(1), three equivalent Fe(3), six equivalent Fe(2), and three equivalent Al(1) atoms. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to one Er(1), one Er(2), one Fe(2), two equivalent Fe(1), four equivalent Fe(3), and two equivalent Al(1) atoms. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to one Er(2), two equivalent Er(1), one Fe(1), two equivalent Fe(3), four equivalent Fe(2), and two equivalent Al(1) atoms. Al(1) is bonded to two equivalent Er(2), two equivalent Fe(1), four equivalent Fe(2), and four equivalent Fe(3) atoms to form a mixture of distorted face and corner-sharing AlEr2Fe10 cuboctahedra. is represented by the CIF card [CIF]
data_Er2Al3Fe14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.175
_cell_length_b   8.518
_cell_length_c   8.518
_cell_angle_alpha   120.060
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   513.363
_cell_formula_units_Z   2
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
  Er  Er0  1  0.750  1.000  0.000  1.0
  Er  Er1  1  0.250  0.000  1.000  1.0
  Er  Er2  1  0.250  0.667  0.333  1.0
  Er  Er3  1  0.750  0.333  0.667  1.0
  Al  Al4  1  0.500  0.500  0.000  1.0
  Al  Al5  1  0.500  0.500  0.500  1.0
  Al  Al6  1  0.500  0.000  0.500  1.0
  Al  Al7  1  0.000  0.500  0.000  1.0
  Al  Al8  1  0.000  0.500  0.500  1.0
  Al  Al9  1  0.000  0.000  0.500  1.0
  Fe  Fe10  1  0.611  0.667  0.333  1.0
  Fe  Fe11  1  0.389  0.333  0.667  1.0
  Fe  Fe12  1  0.111  0.333  0.667  1.0
  Fe  Fe13  1  0.889  0.667  0.333  1.0
  Fe  Fe14  1  0.750  0.679  0.028  1.0
  Fe  Fe15  1  0.750  0.349  0.321  1.0
  Fe  Fe16  1  0.750  0.972  0.652  1.0
  Fe  Fe17  1  0.750  0.348  0.028  1.0
  Fe  Fe18  1  0.750  0.972  0.321  1.0
  Fe  Fe19  1  0.750  0.679  0.651  1.0
  Fe  Fe20  1  0.250  0.321  0.972  1.0
  Fe  Fe21  1  0.250  0.651  0.679  1.0
  Fe  Fe22  1  0.250  0.028  0.348  1.0
  Fe  Fe23  1  0.250  0.652  0.972  1.0
  Fe  Fe24  1  0.250  0.028  0.679  1.0
  Fe  Fe25  1  0.250  0.321  0.349  1.0
  Fe  Fe26  1  0.486  0.835  0.669  1.0
  Fe  Fe27  1  0.486  0.834  0.166  1.0
  Fe  Fe28  1  0.486  0.331  0.165  1.0
  Fe  Fe29  1  0.514  0.165  0.331  1.0
  Fe  Fe30  1  0.514  0.166  0.834  1.0
  Fe  Fe31  1  0.514  0.669  0.835  1.0
  Fe  Fe32  1  0.986  0.165  0.331  1.0
  Fe  Fe33  1  0.986  0.166  0.834  1.0
  Fe  Fe34  1  0.986  0.669  0.835  1.0
  Fe  Fe35  1  0.014  0.835  0.669  1.0
  Fe  Fe36  1  0.014  0.834  0.166  1.0
  Fe  Fe37  1  0.014  0.331  0.165  1.0
[/CIF]
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The material described by Er2Fe14Al3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 18-coordinate geometry to six equivalent Fe(2) and twelve equivalent Fe(3) atoms. In the second Er site, Er(2) is bonded in a 20-coordinate geometry to two equivalent Fe(1), six equivalent Fe(2), six equivalent Fe(3), and six equivalent Al(1) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to one Er(2), one Fe(1), three equivalent Fe(3), six equivalent Fe(2), and three equivalent Al(1) atoms. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to one Er(1), one Er(2), one Fe(2), two equivalent Fe(1), four equivalent Fe(3), and two equivalent Al(1) atoms. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to one Er(2), two equivalent Er(1), one Fe(1), two equivalent Fe(3), four equivalent Fe(2), and two equivalent Al(1) atoms. Al(1) is bonded to two equivalent Er(2), two equivalent Fe(1), four equivalent Fe(2), and four equivalent Fe(3) atoms to form a mixture of distorted face and corner-sharing AlEr2Fe10 cuboctahedra. is represented by the CIF card [CIF]
data_Er2Al3Fe14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.175
_cell_length_b   8.518
_cell_length_c   8.518
_cell_angle_alpha   120.060
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   513.363
_cell_formula_units_Z   2
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
  Er  Er0  1  0.750  1.000  0.000  1.0
  Er  Er1  1  0.250  0.000  1.000  1.0
  Er  Er2  1  0.250  0.667  0.333  1.0
  Er  Er3  1  0.750  0.333  0.667  1.0
  Al  Al4  1  0.500  0.500  0.000  1.0
  Al  Al5  1  0.500  0.500  0.500  1.0
  Al  Al6  1  0.500  0.000  0.500  1.0
  Al  Al7  1  0.000  0.500  0.000  1.0
  Al  Al8  1  0.000  0.500  0.500  1.0
  Al  Al9  1  0.000  0.000  0.500  1.0
  Fe  Fe10  1  0.611  0.667  0.333  1.0
  Fe  Fe11  1  0.389  0.333  0.667  1.0
  Fe  Fe12  1  0.111  0.333  0.667  1.0
  Fe  Fe13  1  0.889  0.667  0.333  1.0
  Fe  Fe14  1  0.750  0.679  0.028  1.0
  Fe  Fe15  1  0.750  0.349  0.321  1.0
  Fe  Fe16  1  0.750  0.972  0.652  1.0
  Fe  Fe17  1  0.750  0.348  0.028  1.0
  Fe  Fe18  1  0.750  0.972  0.321  1.0
  Fe  Fe19  1  0.750  0.679  0.651  1.0
  Fe  Fe20  1  0.250  0.321  0.972  1.0
  Fe  Fe21  1  0.250  0.651  0.679  1.0
  Fe  Fe22  1  0.250  0.028  0.348  1.0
  Fe  Fe23  1  0.250  0.652  0.972  1.0
  Fe  Fe24  1  0.250  0.028  0.679  1.0
  Fe  Fe25  1  0.250  0.321  0.349  1.0
  Fe  Fe26  1  0.486  0.835  0.669  1.0
  Fe  Fe27  1  0.486  0.834  0.166  1.0
  Fe  Fe28  1  0.486  0.331  0.165  1.0
  Fe  Fe29  1  0.514  0.165  0.331  1.0
  Fe  Fe30  1  0.514  0.166  0.834  1.0
  Fe  Fe31  1  0.514  0.669  0.835  1.0
  Fe  Fe32  1  0.986  0.165  0.331  1.0
  Fe  Fe33  1  0.986  0.166  0.834  1.0
  Fe  Fe34  1  0.986  0.669  0.835  1.0
  Fe  Fe35  1  0.014  0.835  0.669  1.0
  Fe  Fe36  1  0.014  0.834  0.166  1.0
  Fe  Fe37  1  0.014  0.331  0.165  1.0
[/CIF]
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