The crystal structure described by SmMoFe11 crystallizes in the orthorhombic Imm2 space group. Sm(1) is bonded in a 20-coordinate geometry to one Mo(1), one Fe(5), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(6), four equivalent Fe(3), and eight equivalent Fe(4) atoms. Mo(1) is bonded in a 14-coordinate geometry to one Sm(1), one Fe(5), two equivalent Fe(2), two equivalent Fe(3), four equivalent Fe(4), and four equivalent Fe(6) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Sm(1), two equivalent Fe(3), two equivalent Fe(5), two equivalent Fe(6), and four equivalent Fe(4) atoms to form distorted FeSm2Fe10 cuboctahedra that share corners with eight equivalent Fe(4)Sm2Fe9Mo cuboctahedra, edges with two equivalent Fe(1)Sm2Fe10 cuboctahedra, edges with four equivalent Fe(4)Sm2Fe9Mo cuboctahedra, and faces with eight equivalent Fe(4)Sm2Fe9Mo cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Sm(1), two equivalent Mo(1), two equivalent Fe(3), two equivalent Fe(6), and four equivalent Fe(4) atoms. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to two equivalent Sm(1), one Mo(1), one Fe(1), one Fe(2), one Fe(5), two equivalent Fe(6), and four equivalent Fe(4) atoms. In the fourth Fe site, Fe(4) is bonded to two equivalent Sm(1), one Mo(1), one Fe(1), one Fe(2), one Fe(5), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(6) atoms to form distorted FeSm2Fe9Mo cuboctahedra that share corners with two equivalent Fe(1)Sm2Fe10 cuboctahedra, corners with ten equivalent Fe(4)Sm2Fe9Mo cuboctahedra,  an edgeedge with one Fe(1)Sm2Fe10 cuboctahedra, edges with four equivalent Fe(4)Sm2Fe9Mo cuboctahedra, faces with two equivalent Fe(1)Sm2Fe10 cuboctahedra, and faces with six equivalent Fe(4)Sm2Fe9Mo cuboctahedra. In the fifth Fe site, Fe(5) is bonded in a distorted single-bond geometry to one Sm(1), one Mo(1), two equivalent Fe(1), two equivalent Fe(3), four equivalent Fe(4), and four equivalent Fe(6) atoms. In the sixth Fe site, Fe(6) is bonded in a 14-coordinate geometry to one Sm(1), two equivalent Mo(1), one Fe(1), one Fe(2), one Fe(6), two equivalent Fe(3), two equivalent Fe(5), and four equivalent Fe(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmFe11Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.695
_cell_length_b   6.482
_cell_length_c   6.482
_cell_angle_alpha   97.815
_cell_angle_beta   111.300
_cell_angle_gamma   68.700
_symmetry_Int_Tables_number   1
_cell_volume   171.254
_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
  Sm  Sm0  1  0.006  0.994  0.006  1.0
  Fe  Fe1  1  0.732  0.768  0.232  1.0
  Fe  Fe2  1  0.270  0.229  0.771  1.0
  Fe  Fe3  1  0.498  0.777  0.773  1.0
  Fe  Fe4  1  0.498  0.227  0.223  1.0
  Fe  Fe5  1  0.501  0.998  0.500  1.0
  Fe  Fe6  1  0.001  0.998  0.500  1.0
  Fe  Fe7  1  0.501  0.500  0.002  1.0
  Fe  Fe8  1  0.001  0.500  0.002  1.0
  Fe  Fe9  1  0.359  0.640  0.360  1.0
  Fe  Fe10  1  0.999  0.360  0.358  1.0
  Fe  Fe11  1  0.999  0.642  0.640  1.0
  Mo  Mo12  1  0.634  0.367  0.633  1.0
[/CIF]
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The crystal structure described by SmMoFe11 crystallizes in the orthorhombic Imm2 space group. Sm(1) is bonded in a 20-coordinate geometry to one Mo(1), one Fe(5), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(6), four equivalent Fe(3), and eight equivalent Fe(4) atoms. Mo(1) is bonded in a 14-coordinate geometry to one Sm(1), one Fe(5), two equivalent Fe(2), two equivalent Fe(3), four equivalent Fe(4), and four equivalent Fe(6) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Sm(1), two equivalent Fe(3), two equivalent Fe(5), two equivalent Fe(6), and four equivalent Fe(4) atoms to form distorted FeSm2Fe10 cuboctahedra that share corners with eight equivalent Fe(4)Sm2Fe9Mo cuboctahedra, edges with two equivalent Fe(1)Sm2Fe10 cuboctahedra, edges with four equivalent Fe(4)Sm2Fe9Mo cuboctahedra, and faces with eight equivalent Fe(4)Sm2Fe9Mo cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Sm(1), two equivalent Mo(1), two equivalent Fe(3), two equivalent Fe(6), and four equivalent Fe(4) atoms. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to two equivalent Sm(1), one Mo(1), one Fe(1), one Fe(2), one Fe(5), two equivalent Fe(6), and four equivalent Fe(4) atoms. In the fourth Fe site, Fe(4) is bonded to two equivalent Sm(1), one Mo(1), one Fe(1), one Fe(2), one Fe(5), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(6) atoms to form distorted FeSm2Fe9Mo cuboctahedra that share corners with two equivalent Fe(1)Sm2Fe10 cuboctahedra, corners with ten equivalent Fe(4)Sm2Fe9Mo cuboctahedra,  an edgeedge with one Fe(1)Sm2Fe10 cuboctahedra, edges with four equivalent Fe(4)Sm2Fe9Mo cuboctahedra, faces with two equivalent Fe(1)Sm2Fe10 cuboctahedra, and faces with six equivalent Fe(4)Sm2Fe9Mo cuboctahedra. In the fifth Fe site, Fe(5) is bonded in a distorted single-bond geometry to one Sm(1), one Mo(1), two equivalent Fe(1), two equivalent Fe(3), four equivalent Fe(4), and four equivalent Fe(6) atoms. In the sixth Fe site, Fe(6) is bonded in a 14-coordinate geometry to one Sm(1), two equivalent Mo(1), one Fe(1), one Fe(2), one Fe(6), two equivalent Fe(3), two equivalent Fe(5), and four equivalent Fe(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmFe11Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.695
_cell_length_b   6.482
_cell_length_c   6.482
_cell_angle_alpha   97.815
_cell_angle_beta   111.300
_cell_angle_gamma   68.700
_symmetry_Int_Tables_number   1
_cell_volume   171.254
_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
  Sm  Sm0  1  0.006  0.994  0.006  1.0
  Fe  Fe1  1  0.732  0.768  0.232  1.0
  Fe  Fe2  1  0.270  0.229  0.771  1.0
  Fe  Fe3  1  0.498  0.777  0.773  1.0
  Fe  Fe4  1  0.498  0.227  0.223  1.0
  Fe  Fe5  1  0.501  0.998  0.500  1.0
  Fe  Fe6  1  0.001  0.998  0.500  1.0
  Fe  Fe7  1  0.501  0.500  0.002  1.0
  Fe  Fe8  1  0.001  0.500  0.002  1.0
  Fe  Fe9  1  0.359  0.640  0.360  1.0
  Fe  Fe10  1  0.999  0.360  0.358  1.0
  Fe  Fe11  1  0.999  0.642  0.640  1.0
  Mo  Mo12  1  0.634  0.367  0.633  1.0
[/CIF]
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