The compound described by Y6Mn14Fe9 crystallizes in the cubic Fm-3m space group. Y(1) is bonded in a 12-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Fe(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent Y(1), four equivalent Mn(2), and four equivalent Fe(2) atoms to form distorted MnY4Mn4Fe4 cuboctahedra that share corners with four equivalent Mn(1)Y4Mn4Fe4 cuboctahedra, corners with eight equivalent Fe(2)Y3Mn6Fe3 cuboctahedra, faces with eight equivalent Mn(1)Y4Mn4Fe4 cuboctahedra, and faces with eight equivalent Fe(2)Y3Mn6Fe3 cuboctahedra. In the second Mn site, Mn(2) is bonded in a 13-coordinate geometry to three equivalent Y(1), three equivalent Mn(1), three equivalent Mn(2), one Fe(1), and three equivalent Fe(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a body-centered cubic geometry to eight equivalent Mn(2) atoms. In the second Fe site, Fe(2) is bonded to three equivalent Y(1), three equivalent Mn(1), three equivalent Mn(2), and three equivalent Fe(2) atoms to form distorted FeY3Mn6Fe3 cuboctahedra that share corners with six equivalent Mn(1)Y4Mn4Fe4 cuboctahedra, corners with six equivalent Fe(2)Y3Mn6Fe3 cuboctahedra, faces with six equivalent Mn(1)Y4Mn4Fe4 cuboctahedra, and faces with six equivalent Fe(2)Y3Mn6Fe3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y6Mn14Fe9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.482
_cell_length_b   8.482
_cell_length_c   8.482
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   431.536
_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
  Y  Y0  1  0.706  0.706  0.294  1.0
  Y  Y1  1  0.294  0.706  0.294  1.0
  Y  Y2  1  0.706  0.294  0.294  1.0
  Y  Y3  1  0.294  0.294  0.706  1.0
  Y  Y4  1  0.706  0.294  0.706  1.0
  Y  Y5  1  0.294  0.706  0.706  1.0
  Mn  Mn6  1  0.000  0.000  0.500  1.0
  Mn  Mn7  1  0.500  0.000  0.500  1.0
  Mn  Mn8  1  0.000  0.500  0.500  1.0
  Mn  Mn9  1  0.500  0.500  0.000  1.0
  Mn  Mn10  1  0.000  0.500  0.000  1.0
  Mn  Mn11  1  0.500  0.000  0.000  1.0
  Mn  Mn12  1  0.880  0.880  0.359  1.0
  Mn  Mn13  1  0.880  0.359  0.880  1.0
  Mn  Mn14  1  0.359  0.880  0.880  1.0
  Mn  Mn15  1  0.880  0.880  0.880  1.0
  Mn  Mn16  1  0.120  0.120  0.641  1.0
  Mn  Mn17  1  0.120  0.641  0.120  1.0
  Mn  Mn18  1  0.641  0.120  0.120  1.0
  Mn  Mn19  1  0.120  0.120  0.120  1.0
  Fe  Fe20  1  0.000  0.000  0.000  1.0
  Fe  Fe21  1  0.680  0.680  0.960  1.0
  Fe  Fe22  1  0.680  0.960  0.680  1.0
  Fe  Fe23  1  0.960  0.680  0.680  1.0
  Fe  Fe24  1  0.680  0.680  0.680  1.0
  Fe  Fe25  1  0.320  0.320  0.040  1.0
  Fe  Fe26  1  0.320  0.040  0.320  1.0
  Fe  Fe27  1  0.040  0.320  0.320  1.0
  Fe  Fe28  1  0.320  0.320  0.320  1.0
[/CIF]
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The compound described by Y6Mn14Fe9 crystallizes in the cubic Fm-3m space group. Y(1) is bonded in a 12-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Fe(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent Y(1), four equivalent Mn(2), and four equivalent Fe(2) atoms to form distorted MnY4Mn4Fe4 cuboctahedra that share corners with four equivalent Mn(1)Y4Mn4Fe4 cuboctahedra, corners with eight equivalent Fe(2)Y3Mn6Fe3 cuboctahedra, faces with eight equivalent Mn(1)Y4Mn4Fe4 cuboctahedra, and faces with eight equivalent Fe(2)Y3Mn6Fe3 cuboctahedra. In the second Mn site, Mn(2) is bonded in a 13-coordinate geometry to three equivalent Y(1), three equivalent Mn(1), three equivalent Mn(2), one Fe(1), and three equivalent Fe(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a body-centered cubic geometry to eight equivalent Mn(2) atoms. In the second Fe site, Fe(2) is bonded to three equivalent Y(1), three equivalent Mn(1), three equivalent Mn(2), and three equivalent Fe(2) atoms to form distorted FeY3Mn6Fe3 cuboctahedra that share corners with six equivalent Mn(1)Y4Mn4Fe4 cuboctahedra, corners with six equivalent Fe(2)Y3Mn6Fe3 cuboctahedra, faces with six equivalent Mn(1)Y4Mn4Fe4 cuboctahedra, and faces with six equivalent Fe(2)Y3Mn6Fe3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y6Mn14Fe9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.482
_cell_length_b   8.482
_cell_length_c   8.482
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   431.536
_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
  Y  Y0  1  0.706  0.706  0.294  1.0
  Y  Y1  1  0.294  0.706  0.294  1.0
  Y  Y2  1  0.706  0.294  0.294  1.0
  Y  Y3  1  0.294  0.294  0.706  1.0
  Y  Y4  1  0.706  0.294  0.706  1.0
  Y  Y5  1  0.294  0.706  0.706  1.0
  Mn  Mn6  1  0.000  0.000  0.500  1.0
  Mn  Mn7  1  0.500  0.000  0.500  1.0
  Mn  Mn8  1  0.000  0.500  0.500  1.0
  Mn  Mn9  1  0.500  0.500  0.000  1.0
  Mn  Mn10  1  0.000  0.500  0.000  1.0
  Mn  Mn11  1  0.500  0.000  0.000  1.0
  Mn  Mn12  1  0.880  0.880  0.359  1.0
  Mn  Mn13  1  0.880  0.359  0.880  1.0
  Mn  Mn14  1  0.359  0.880  0.880  1.0
  Mn  Mn15  1  0.880  0.880  0.880  1.0
  Mn  Mn16  1  0.120  0.120  0.641  1.0
  Mn  Mn17  1  0.120  0.641  0.120  1.0
  Mn  Mn18  1  0.641  0.120  0.120  1.0
  Mn  Mn19  1  0.120  0.120  0.120  1.0
  Fe  Fe20  1  0.000  0.000  0.000  1.0
  Fe  Fe21  1  0.680  0.680  0.960  1.0
  Fe  Fe22  1  0.680  0.960  0.680  1.0
  Fe  Fe23  1  0.960  0.680  0.680  1.0
  Fe  Fe24  1  0.680  0.680  0.680  1.0
  Fe  Fe25  1  0.320  0.320  0.040  1.0
  Fe  Fe26  1  0.320  0.040  0.320  1.0
  Fe  Fe27  1  0.040  0.320  0.320  1.0
  Fe  Fe28  1  0.320  0.320  0.320  1.0
[/CIF]
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