The compound described by Y2Fe14Al3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to six equivalent Fe(2) and twelve equivalent Fe(3) atoms. In the second Y site, Y(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 Y(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 Y(1), one Y(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 Y(2), two equivalent Y(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 Y(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 AlY2Fe10 cuboctahedra. is represented by the CIF card [CIF]
data_Y2Al3Fe14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.210
_cell_length_b   8.549
_cell_length_c   8.549
_cell_angle_alpha   119.995
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   519.702
_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
  Y  Y0  1  0.750  1.000  0.000  1.0
  Y  Y1  1  0.250  0.000  1.000  1.0
  Y  Y2  1  0.250  0.667  0.333  1.0
  Y  Y3  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  0.612  0.667  0.333  1.0
  Fe  Fe11  1  0.388  0.333  0.667  1.0
  Fe  Fe12  1  0.112  0.333  0.667  1.0
  Fe  Fe13  1  0.888  0.667  0.333  1.0
  Fe  Fe14  1  0.750  0.677  0.030  1.0
  Fe  Fe15  1  0.750  0.353  0.323  1.0
  Fe  Fe16  1  0.750  0.970  0.647  1.0
  Fe  Fe17  1  0.750  0.353  0.030  1.0
  Fe  Fe18  1  0.750  0.970  0.323  1.0
  Fe  Fe19  1  0.750  0.677  0.647  1.0
  Fe  Fe20  1  0.250  0.323  0.970  1.0
  Fe  Fe21  1  0.250  0.647  0.677  1.0
  Fe  Fe22  1  0.250  0.030  0.353  1.0
  Fe  Fe23  1  0.250  0.647  0.970  1.0
  Fe  Fe24  1  0.250  0.030  0.677  1.0
  Fe  Fe25  1  0.250  0.323  0.353  1.0
  Fe  Fe26  1  0.488  0.834  0.668  1.0
  Fe  Fe27  1  0.488  0.834  0.166  1.0
  Fe  Fe28  1  0.488  0.332  0.166  1.0
  Fe  Fe29  1  0.512  0.166  0.332  1.0
  Fe  Fe30  1  0.512  0.166  0.834  1.0
  Fe  Fe31  1  0.512  0.668  0.834  1.0
  Fe  Fe32  1  0.988  0.166  0.332  1.0
  Fe  Fe33  1  0.988  0.166  0.834  1.0
  Fe  Fe34  1  0.988  0.668  0.834  1.0
  Fe  Fe35  1  0.012  0.834  0.668  1.0
  Fe  Fe36  1  0.012  0.834  0.166  1.0
  Fe  Fe37  1  0.012  0.332  0.166  1.0
[/CIF]
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The compound described by Y2Fe14Al3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to six equivalent Fe(2) and twelve equivalent Fe(3) atoms. In the second Y site, Y(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 Y(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 Y(1), one Y(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 Y(2), two equivalent Y(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 Y(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 AlY2Fe10 cuboctahedra. is represented by the CIF card [CIF]
data_Y2Al3Fe14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.210
_cell_length_b   8.549
_cell_length_c   8.549
_cell_angle_alpha   119.995
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   519.702
_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
  Y  Y0  1  0.750  1.000  0.000  1.0
  Y  Y1  1  0.250  0.000  1.000  1.0
  Y  Y2  1  0.250  0.667  0.333  1.0
  Y  Y3  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  0.612  0.667  0.333  1.0
  Fe  Fe11  1  0.388  0.333  0.667  1.0
  Fe  Fe12  1  0.112  0.333  0.667  1.0
  Fe  Fe13  1  0.888  0.667  0.333  1.0
  Fe  Fe14  1  0.750  0.677  0.030  1.0
  Fe  Fe15  1  0.750  0.353  0.323  1.0
  Fe  Fe16  1  0.750  0.970  0.647  1.0
  Fe  Fe17  1  0.750  0.353  0.030  1.0
  Fe  Fe18  1  0.750  0.970  0.323  1.0
  Fe  Fe19  1  0.750  0.677  0.647  1.0
  Fe  Fe20  1  0.250  0.323  0.970  1.0
  Fe  Fe21  1  0.250  0.647  0.677  1.0
  Fe  Fe22  1  0.250  0.030  0.353  1.0
  Fe  Fe23  1  0.250  0.647  0.970  1.0
  Fe  Fe24  1  0.250  0.030  0.677  1.0
  Fe  Fe25  1  0.250  0.323  0.353  1.0
  Fe  Fe26  1  0.488  0.834  0.668  1.0
  Fe  Fe27  1  0.488  0.834  0.166  1.0
  Fe  Fe28  1  0.488  0.332  0.166  1.0
  Fe  Fe29  1  0.512  0.166  0.332  1.0
  Fe  Fe30  1  0.512  0.166  0.834  1.0
  Fe  Fe31  1  0.512  0.668  0.834  1.0
  Fe  Fe32  1  0.988  0.166  0.332  1.0
  Fe  Fe33  1  0.988  0.166  0.834  1.0
  Fe  Fe34  1  0.988  0.668  0.834  1.0
  Fe  Fe35  1  0.012  0.834  0.668  1.0
  Fe  Fe36  1  0.012  0.834  0.166  1.0
  Fe  Fe37  1  0.012  0.332  0.166  1.0
[/CIF]
.