The structure described by SmMo2Fe10N crystallizes in the orthorhombic Immm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted linear geometry to four equivalent Fe(3) and two equivalent N(1) atoms. In the second Sm site, Sm(1) is bonded in a distorted linear geometry to four equivalent Fe(3) and two equivalent N(1) atoms. Mo(1) is bonded in a 11-coordinate geometry to one Mo(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and four equivalent Fe(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to two equivalent Mo(1), two equivalent Fe(4), and one N(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to two equivalent Mo(1), two equivalent Fe(3), and one N(1) atom. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one Sm(1), one Mo(1), one Fe(2), one Fe(4), and two equivalent Fe(3) atoms. In the fourth Fe site, Fe(4) is bonded in a 9-coordinate geometry to four equivalent Mo(1), one Fe(4), two equivalent Fe(1), and two equivalent Fe(3) atoms. N(1) is bonded to two equivalent Sm(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form corner-sharing NSm2Fe4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmFe10Mo2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.771
_cell_length_b   6.771
_cell_length_c   6.771
_cell_angle_alpha   141.150
_cell_angle_beta   100.936
_cell_angle_gamma   91.805
_symmetry_Int_Tables_number   1
_cell_volume   182.896
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.230  0.500  0.730  1.0
  Fe  Fe2  1  0.770  0.500  0.270  1.0
  Fe  Fe3  1  0.203  0.703  0.500  1.0
  Fe  Fe4  1  0.797  0.297  0.500  1.0
  Fe  Fe5  1  0.968  0.211  0.757  1.0
  Fe  Fe6  1  0.032  0.789  0.243  1.0
  Fe  Fe7  1  0.546  0.789  0.757  1.0
  Fe  Fe8  1  0.454  0.211  0.243  1.0
  Fe  Fe9  1  0.630  0.000  0.630  1.0
  Fe  Fe10  1  0.370  0.000  0.370  1.0
  Mo  Mo11  1  0.643  0.643  0.000  1.0
  Mo  Mo12  1  0.357  0.357  0.000  1.0
  N  N13  1  0.000  0.500  0.500  1.0
[/CIF]
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The structure described by SmMo2Fe10N crystallizes in the orthorhombic Immm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted linear geometry to four equivalent Fe(3) and two equivalent N(1) atoms. In the second Sm site, Sm(1) is bonded in a distorted linear geometry to four equivalent Fe(3) and two equivalent N(1) atoms. Mo(1) is bonded in a 11-coordinate geometry to one Mo(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and four equivalent Fe(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to two equivalent Mo(1), two equivalent Fe(4), and one N(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to two equivalent Mo(1), two equivalent Fe(3), and one N(1) atom. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one Sm(1), one Mo(1), one Fe(2), one Fe(4), and two equivalent Fe(3) atoms. In the fourth Fe site, Fe(4) is bonded in a 9-coordinate geometry to four equivalent Mo(1), one Fe(4), two equivalent Fe(1), and two equivalent Fe(3) atoms. N(1) is bonded to two equivalent Sm(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form corner-sharing NSm2Fe4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmFe10Mo2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.771
_cell_length_b   6.771
_cell_length_c   6.771
_cell_angle_alpha   141.150
_cell_angle_beta   100.936
_cell_angle_gamma   91.805
_symmetry_Int_Tables_number   1
_cell_volume   182.896
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.230  0.500  0.730  1.0
  Fe  Fe2  1  0.770  0.500  0.270  1.0
  Fe  Fe3  1  0.203  0.703  0.500  1.0
  Fe  Fe4  1  0.797  0.297  0.500  1.0
  Fe  Fe5  1  0.968  0.211  0.757  1.0
  Fe  Fe6  1  0.032  0.789  0.243  1.0
  Fe  Fe7  1  0.546  0.789  0.757  1.0
  Fe  Fe8  1  0.454  0.211  0.243  1.0
  Fe  Fe9  1  0.630  0.000  0.630  1.0
  Fe  Fe10  1  0.370  0.000  0.370  1.0
  Mo  Mo11  1  0.643  0.643  0.000  1.0
  Mo  Mo12  1  0.357  0.357  0.000  1.0
  N  N13  1  0.000  0.500  0.500  1.0
[/CIF]
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