The compound described by Y2Fe14Ga3 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 Ga(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 Ga(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 Ga(1) atoms. In the third Fe site, Fe(3) is bonded to one Y(2), two equivalent Y(1), one Fe(1), two equivalent Fe(3), four equivalent Fe(2), and two equivalent Ga(1) atoms to form distorted FeY3Ga2Fe7 cuboctahedra that share corners with five equivalent Ga(1)Y2Fe10 cuboctahedra, corners with ten equivalent Fe(3)Y3Ga2Fe7 cuboctahedra, edges with three equivalent Ga(1)Y2Fe10 cuboctahedra, edges with five equivalent Fe(3)Y3Ga2Fe7 cuboctahedra, faces with two equivalent Ga(1)Y2Fe10 cuboctahedra, and faces with eight equivalent Fe(3)Y3Ga2Fe7 cuboctahedra. Ga(1) is bonded to two equivalent Y(2), two equivalent Fe(1), four equivalent Fe(2), and four equivalent Fe(3) atoms to form GaY2Fe10 cuboctahedra that share corners with four equivalent Ga(1)Y2Fe10 cuboctahedra, corners with ten equivalent Fe(3)Y3Ga2Fe7 cuboctahedra, edges with six equivalent Fe(3)Y3Ga2Fe7 cuboctahedra, faces with four equivalent Fe(3)Y3Ga2Fe7 cuboctahedra, and faces with six equivalent Ga(1)Y2Fe10 cuboctahedra. is represented by the CIF file [CIF]
data_Y2Ga3Fe14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.563
_cell_length_b   8.563
_cell_length_c   8.238
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   523.164
_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  0.000  0.000  0.250  1.0
  Y  Y1  1  0.000  0.000  0.750  1.0
  Y  Y2  1  0.333  0.667  0.750  1.0
  Y  Y3  1  0.667  0.333  0.250  1.0
  Ga  Ga4  1  0.500  0.500  0.500  1.0
  Ga  Ga5  1  0.500  0.000  0.500  1.0
  Ga  Ga6  1  0.000  0.500  0.500  1.0
  Ga  Ga7  1  0.500  0.500  0.000  1.0
  Ga  Ga8  1  0.500  0.000  0.000  1.0
  Ga  Ga9  1  0.000  0.500  0.000  1.0
  Fe  Fe10  1  0.333  0.667  0.388  1.0
  Fe  Fe11  1  0.667  0.333  0.612  1.0
  Fe  Fe12  1  0.667  0.333  0.888  1.0
  Fe  Fe13  1  0.333  0.667  0.112  1.0
  Fe  Fe14  1  0.322  0.351  0.250  1.0
  Fe  Fe15  1  0.648  0.970  0.250  1.0
  Fe  Fe16  1  0.030  0.678  0.250  1.0
  Fe  Fe17  1  0.648  0.678  0.250  1.0
  Fe  Fe18  1  0.030  0.351  0.250  1.0
  Fe  Fe19  1  0.322  0.970  0.250  1.0
  Fe  Fe20  1  0.678  0.648  0.750  1.0
  Fe  Fe21  1  0.351  0.030  0.750  1.0
  Fe  Fe22  1  0.970  0.322  0.750  1.0
  Fe  Fe23  1  0.351  0.322  0.750  1.0
  Fe  Fe24  1  0.970  0.648  0.750  1.0
  Fe  Fe25  1  0.678  0.030  0.750  1.0
  Fe  Fe26  1  0.166  0.834  0.514  1.0
  Fe  Fe27  1  0.166  0.331  0.514  1.0
  Fe  Fe28  1  0.669  0.834  0.514  1.0
  Fe  Fe29  1  0.834  0.166  0.486  1.0
  Fe  Fe30  1  0.834  0.669  0.486  1.0
  Fe  Fe31  1  0.331  0.166  0.486  1.0
  Fe  Fe32  1  0.834  0.166  0.014  1.0
  Fe  Fe33  1  0.834  0.669  0.014  1.0
  Fe  Fe34  1  0.331  0.166  0.014  1.0
  Fe  Fe35  1  0.166  0.834  0.986  1.0
  Fe  Fe36  1  0.166  0.331  0.986  1.0
  Fe  Fe37  1  0.669  0.834  0.986  1.0
[/CIF]
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The compound described by Y2Fe14Ga3 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 Ga(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 Ga(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 Ga(1) atoms. In the third Fe site, Fe(3) is bonded to one Y(2), two equivalent Y(1), one Fe(1), two equivalent Fe(3), four equivalent Fe(2), and two equivalent Ga(1) atoms to form distorted FeY3Ga2Fe7 cuboctahedra that share corners with five equivalent Ga(1)Y2Fe10 cuboctahedra, corners with ten equivalent Fe(3)Y3Ga2Fe7 cuboctahedra, edges with three equivalent Ga(1)Y2Fe10 cuboctahedra, edges with five equivalent Fe(3)Y3Ga2Fe7 cuboctahedra, faces with two equivalent Ga(1)Y2Fe10 cuboctahedra, and faces with eight equivalent Fe(3)Y3Ga2Fe7 cuboctahedra. Ga(1) is bonded to two equivalent Y(2), two equivalent Fe(1), four equivalent Fe(2), and four equivalent Fe(3) atoms to form GaY2Fe10 cuboctahedra that share corners with four equivalent Ga(1)Y2Fe10 cuboctahedra, corners with ten equivalent Fe(3)Y3Ga2Fe7 cuboctahedra, edges with six equivalent Fe(3)Y3Ga2Fe7 cuboctahedra, faces with four equivalent Fe(3)Y3Ga2Fe7 cuboctahedra, and faces with six equivalent Ga(1)Y2Fe10 cuboctahedra. is represented by the CIF file [CIF]
data_Y2Ga3Fe14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.563
_cell_length_b   8.563
_cell_length_c   8.238
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   523.164
_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  0.000  0.000  0.250  1.0
  Y  Y1  1  0.000  0.000  0.750  1.0
  Y  Y2  1  0.333  0.667  0.750  1.0
  Y  Y3  1  0.667  0.333  0.250  1.0
  Ga  Ga4  1  0.500  0.500  0.500  1.0
  Ga  Ga5  1  0.500  0.000  0.500  1.0
  Ga  Ga6  1  0.000  0.500  0.500  1.0
  Ga  Ga7  1  0.500  0.500  0.000  1.0
  Ga  Ga8  1  0.500  0.000  0.000  1.0
  Ga  Ga9  1  0.000  0.500  0.000  1.0
  Fe  Fe10  1  0.333  0.667  0.388  1.0
  Fe  Fe11  1  0.667  0.333  0.612  1.0
  Fe  Fe12  1  0.667  0.333  0.888  1.0
  Fe  Fe13  1  0.333  0.667  0.112  1.0
  Fe  Fe14  1  0.322  0.351  0.250  1.0
  Fe  Fe15  1  0.648  0.970  0.250  1.0
  Fe  Fe16  1  0.030  0.678  0.250  1.0
  Fe  Fe17  1  0.648  0.678  0.250  1.0
  Fe  Fe18  1  0.030  0.351  0.250  1.0
  Fe  Fe19  1  0.322  0.970  0.250  1.0
  Fe  Fe20  1  0.678  0.648  0.750  1.0
  Fe  Fe21  1  0.351  0.030  0.750  1.0
  Fe  Fe22  1  0.970  0.322  0.750  1.0
  Fe  Fe23  1  0.351  0.322  0.750  1.0
  Fe  Fe24  1  0.970  0.648  0.750  1.0
  Fe  Fe25  1  0.678  0.030  0.750  1.0
  Fe  Fe26  1  0.166  0.834  0.514  1.0
  Fe  Fe27  1  0.166  0.331  0.514  1.0
  Fe  Fe28  1  0.669  0.834  0.514  1.0
  Fe  Fe29  1  0.834  0.166  0.486  1.0
  Fe  Fe30  1  0.834  0.669  0.486  1.0
  Fe  Fe31  1  0.331  0.166  0.486  1.0
  Fe  Fe32  1  0.834  0.166  0.014  1.0
  Fe  Fe33  1  0.834  0.669  0.014  1.0
  Fe  Fe34  1  0.331  0.166  0.014  1.0
  Fe  Fe35  1  0.166  0.834  0.986  1.0
  Fe  Fe36  1  0.166  0.331  0.986  1.0
  Fe  Fe37  1  0.669  0.834  0.986  1.0
[/CIF]
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