The structure described by ErMo2Fe10N crystallizes in the orthorhombic Immm space group. Er(1) is bonded in a linear geometry to two equivalent Mo(1), two equivalent Fe(4), eight equivalent Fe(3), and two equivalent N(1) atoms. Mo(1) is bonded in a 14-coordinate geometry to one Er(1), one Mo(1), two equivalent Fe(1), two equivalent Fe(2), four 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), four equivalent Fe(3), 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(4), four equivalent Fe(3), and one N(1) atom. In the third Fe site, Fe(3) is bonded to two equivalent Er(1), two equivalent Mo(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form distorted FeEr2Fe8Mo2 cuboctahedra that share corners with ten equivalent Fe(3)Er2Fe8Mo2 cuboctahedra, corners with two equivalent N(1)Er2Fe4 octahedra, edges with four equivalent Fe(3)Er2Fe8Mo2 cuboctahedra, faces with six equivalent Fe(3)Er2Fe8Mo2 cuboctahedra, and faces with two equivalent N(1)Er2Fe4 octahedra. The corner-sharing octahedral tilt angles are 69°. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Er(1), four equivalent Mo(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms. N(1) is bonded to two equivalent Er(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form NEr2Fe4 octahedra that share corners with eight equivalent Fe(3)Er2Fe8Mo2 cuboctahedra, corners with two equivalent N(1)Er2Fe4 octahedra, and faces with eight equivalent Fe(3)Er2Fe8Mo2 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_ErFe10Mo2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.747
_cell_length_b   6.562
_cell_length_c   6.562
_cell_angle_alpha   97.976
_cell_angle_beta   111.205
_cell_angle_gamma   68.795
_symmetry_Int_Tables_number   1
_cell_volume   177.652
_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
  Er  Er0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.720  0.780  0.220  1.0
  Fe  Fe2  1  0.280  0.220  0.780  1.0
  Fe  Fe3  1  0.500  0.779  0.779  1.0
  Fe  Fe4  1  0.500  0.221  0.221  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
  Fe  Fe7  1  0.500  0.500  0.000  1.0
  Fe  Fe8  1  0.000  0.500  0.000  1.0
  Fe  Fe9  1  0.640  0.360  0.640  1.0
  Fe  Fe10  1  0.360  0.640  0.360  1.0
  Mo  Mo11  1  0.000  0.358  0.358  1.0
  Mo  Mo12  1  0.000  0.642  0.642  1.0
  N  N13  1  0.500  0.000  0.000  1.0
[/CIF]
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The structure described by ErMo2Fe10N crystallizes in the orthorhombic Immm space group. Er(1) is bonded in a linear geometry to two equivalent Mo(1), two equivalent Fe(4), eight equivalent Fe(3), and two equivalent N(1) atoms. Mo(1) is bonded in a 14-coordinate geometry to one Er(1), one Mo(1), two equivalent Fe(1), two equivalent Fe(2), four 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), four equivalent Fe(3), 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(4), four equivalent Fe(3), and one N(1) atom. In the third Fe site, Fe(3) is bonded to two equivalent Er(1), two equivalent Mo(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form distorted FeEr2Fe8Mo2 cuboctahedra that share corners with ten equivalent Fe(3)Er2Fe8Mo2 cuboctahedra, corners with two equivalent N(1)Er2Fe4 octahedra, edges with four equivalent Fe(3)Er2Fe8Mo2 cuboctahedra, faces with six equivalent Fe(3)Er2Fe8Mo2 cuboctahedra, and faces with two equivalent N(1)Er2Fe4 octahedra. The corner-sharing octahedral tilt angles are 69°. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Er(1), four equivalent Mo(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms. N(1) is bonded to two equivalent Er(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form NEr2Fe4 octahedra that share corners with eight equivalent Fe(3)Er2Fe8Mo2 cuboctahedra, corners with two equivalent N(1)Er2Fe4 octahedra, and faces with eight equivalent Fe(3)Er2Fe8Mo2 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_ErFe10Mo2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.747
_cell_length_b   6.562
_cell_length_c   6.562
_cell_angle_alpha   97.976
_cell_angle_beta   111.205
_cell_angle_gamma   68.795
_symmetry_Int_Tables_number   1
_cell_volume   177.652
_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
  Er  Er0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.720  0.780  0.220  1.0
  Fe  Fe2  1  0.280  0.220  0.780  1.0
  Fe  Fe3  1  0.500  0.779  0.779  1.0
  Fe  Fe4  1  0.500  0.221  0.221  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
  Fe  Fe7  1  0.500  0.500  0.000  1.0
  Fe  Fe8  1  0.000  0.500  0.000  1.0
  Fe  Fe9  1  0.640  0.360  0.640  1.0
  Fe  Fe10  1  0.360  0.640  0.360  1.0
  Mo  Mo11  1  0.000  0.358  0.358  1.0
  Mo  Mo12  1  0.000  0.642  0.642  1.0
  N  N13  1  0.500  0.000  0.000  1.0
[/CIF]
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