The structure described by YFe11Mo crystallizes in the orthorhombic Imm2 space group. Y(1) is bonded in a 20-coordinate geometry to one Mo(1), one Fe(5), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(6), four equivalent Fe(4), and eight equivalent Fe(1) atoms. Mo(1) is bonded in a 14-coordinate geometry to one Y(1), one Fe(5), two equivalent Fe(3), two equivalent Fe(4), four equivalent Fe(1), and four equivalent Fe(6) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Y(1), one Mo(1), one Fe(2), one Fe(3), one Fe(5), two equivalent Fe(1), two equivalent Fe(4), and two equivalent Fe(6) atoms to form distorted FeY2Fe9Mo cuboctahedra that share corners with two equivalent Fe(2)Y2Fe10 cuboctahedra, corners with ten equivalent Fe(1)Y2Fe9Mo cuboctahedra,  an edgeedge with one Fe(2)Y2Fe10 cuboctahedra, edges with four equivalent Fe(1)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(2)Y2Fe10 cuboctahedra, and faces with six equivalent Fe(1)Y2Fe9Mo cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Y(1), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(6), and four equivalent Fe(1) atoms to form distorted FeY2Fe10 cuboctahedra that share corners with eight equivalent Fe(1)Y2Fe9Mo cuboctahedra, edges with two equivalent Fe(2)Y2Fe10 cuboctahedra, edges with four equivalent Fe(1)Y2Fe9Mo cuboctahedra, and faces with eight equivalent Fe(1)Y2Fe9Mo cuboctahedra. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Mo(1), two equivalent Fe(4), two equivalent Fe(6), and four equivalent Fe(1) atoms. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to two equivalent Y(1), one Mo(1), one Fe(2), one Fe(3), one Fe(5), two equivalent Fe(6), and four equivalent Fe(1) atoms. In the fifth Fe site, Fe(5) is bonded in a distorted single-bond geometry to one Y(1), one Mo(1), two equivalent Fe(2), two equivalent Fe(4), four equivalent Fe(1), and four equivalent Fe(6) atoms. In the sixth Fe site, Fe(6) is bonded in a 14-coordinate geometry to one Y(1), two equivalent Mo(1), one Fe(2), one Fe(3), one Fe(6), two equivalent Fe(4), two equivalent Fe(5), and four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YFe11Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.694
_cell_length_b   6.451
_cell_length_c   6.451
_cell_angle_alpha   97.897
_cell_angle_beta   111.336
_cell_angle_gamma   68.664
_symmetry_Int_Tables_number   1
_cell_volume   169.464
_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  0.006  0.994  0.006  1.0
  Fe  Fe1  1  0.501  0.998  0.500  1.0
  Fe  Fe2  1  0.001  0.998  0.500  1.0
  Fe  Fe3  1  0.501  0.500  0.002  1.0
  Fe  Fe4  1  0.001  0.500  0.002  1.0
  Fe  Fe5  1  0.729  0.771  0.229  1.0
  Fe  Fe6  1  0.273  0.227  0.773  1.0
  Fe  Fe7  1  0.498  0.779  0.776  1.0
  Fe  Fe8  1  0.498  0.224  0.221  1.0
  Fe  Fe9  1  0.359  0.641  0.359  1.0
  Fe  Fe10  1  0.999  0.359  0.358  1.0
  Fe  Fe11  1  0.999  0.642  0.641  1.0
  Mo  Mo12  1  0.633  0.367  0.633  1.0
[/CIF]
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The structure described by YFe11Mo crystallizes in the orthorhombic Imm2 space group. Y(1) is bonded in a 20-coordinate geometry to one Mo(1), one Fe(5), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(6), four equivalent Fe(4), and eight equivalent Fe(1) atoms. Mo(1) is bonded in a 14-coordinate geometry to one Y(1), one Fe(5), two equivalent Fe(3), two equivalent Fe(4), four equivalent Fe(1), and four equivalent Fe(6) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Y(1), one Mo(1), one Fe(2), one Fe(3), one Fe(5), two equivalent Fe(1), two equivalent Fe(4), and two equivalent Fe(6) atoms to form distorted FeY2Fe9Mo cuboctahedra that share corners with two equivalent Fe(2)Y2Fe10 cuboctahedra, corners with ten equivalent Fe(1)Y2Fe9Mo cuboctahedra,  an edgeedge with one Fe(2)Y2Fe10 cuboctahedra, edges with four equivalent Fe(1)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(2)Y2Fe10 cuboctahedra, and faces with six equivalent Fe(1)Y2Fe9Mo cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Y(1), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(6), and four equivalent Fe(1) atoms to form distorted FeY2Fe10 cuboctahedra that share corners with eight equivalent Fe(1)Y2Fe9Mo cuboctahedra, edges with two equivalent Fe(2)Y2Fe10 cuboctahedra, edges with four equivalent Fe(1)Y2Fe9Mo cuboctahedra, and faces with eight equivalent Fe(1)Y2Fe9Mo cuboctahedra. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Mo(1), two equivalent Fe(4), two equivalent Fe(6), and four equivalent Fe(1) atoms. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to two equivalent Y(1), one Mo(1), one Fe(2), one Fe(3), one Fe(5), two equivalent Fe(6), and four equivalent Fe(1) atoms. In the fifth Fe site, Fe(5) is bonded in a distorted single-bond geometry to one Y(1), one Mo(1), two equivalent Fe(2), two equivalent Fe(4), four equivalent Fe(1), and four equivalent Fe(6) atoms. In the sixth Fe site, Fe(6) is bonded in a 14-coordinate geometry to one Y(1), two equivalent Mo(1), one Fe(2), one Fe(3), one Fe(6), two equivalent Fe(4), two equivalent Fe(5), and four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YFe11Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.694
_cell_length_b   6.451
_cell_length_c   6.451
_cell_angle_alpha   97.897
_cell_angle_beta   111.336
_cell_angle_gamma   68.664
_symmetry_Int_Tables_number   1
_cell_volume   169.464
_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  0.006  0.994  0.006  1.0
  Fe  Fe1  1  0.501  0.998  0.500  1.0
  Fe  Fe2  1  0.001  0.998  0.500  1.0
  Fe  Fe3  1  0.501  0.500  0.002  1.0
  Fe  Fe4  1  0.001  0.500  0.002  1.0
  Fe  Fe5  1  0.729  0.771  0.229  1.0
  Fe  Fe6  1  0.273  0.227  0.773  1.0
  Fe  Fe7  1  0.498  0.779  0.776  1.0
  Fe  Fe8  1  0.498  0.224  0.221  1.0
  Fe  Fe9  1  0.359  0.641  0.359  1.0
  Fe  Fe10  1  0.999  0.359  0.358  1.0
  Fe  Fe11  1  0.999  0.642  0.641  1.0
  Mo  Mo12  1  0.633  0.367  0.633  1.0
[/CIF]
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