The crystal structure described by SmV2Fe10N crystallizes in the orthorhombic Immm space group. Sm(1) is bonded in a linear geometry to two equivalent V(1), two equivalent Fe(4), eight equivalent Fe(3), and two equivalent N(1) atoms. V(1) is bonded in a 14-coordinate geometry to one Sm(1), one V(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 V(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 V(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 Sm(1), two equivalent V(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form distorted FeSm2V2Fe8 cuboctahedra that share corners with ten equivalent Fe(3)Sm2V2Fe8 cuboctahedra, corners with two equivalent N(1)Sm2Fe4 octahedra, edges with four equivalent Fe(3)Sm2V2Fe8 cuboctahedra, faces with six equivalent Fe(3)Sm2V2Fe8 cuboctahedra, and faces with two equivalent N(1)Sm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 68°. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Sm(1), four equivalent V(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 Sm(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form NSm2Fe4 octahedra that share corners with eight equivalent Fe(3)Sm2V2Fe8 cuboctahedra, corners with two equivalent N(1)Sm2Fe4 octahedra, and faces with eight equivalent Fe(3)Sm2V2Fe8 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmV2Fe10N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.465
_cell_length_b   6.465
_cell_length_c   6.465
_cell_angle_alpha   136.706
_cell_angle_beta   98.263
_cell_angle_gamma   97.379
_symmetry_Int_Tables_number   1
_cell_volume   172.257
_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
  V  V1  1  0.640  0.000  0.640  1.0
  V  V2  1  0.360  0.000  0.360  1.0
  Fe  Fe3  1  0.772  0.272  0.500  1.0
  Fe  Fe4  1  0.228  0.728  0.500  1.0
  Fe  Fe5  1  0.223  0.500  0.723  1.0
  Fe  Fe6  1  0.777  0.500  0.277  1.0
  Fe  Fe7  1  0.500  0.000  0.000  1.0
  Fe  Fe8  1  0.500  0.500  0.500  1.0
  Fe  Fe9  1  0.000  0.000  0.500  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  Fe  Fe11  1  0.371  0.371  0.000  1.0
  Fe  Fe12  1  0.629  0.629  0.000  1.0
  N  N13  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by SmV2Fe10N crystallizes in the orthorhombic Immm space group. Sm(1) is bonded in a linear geometry to two equivalent V(1), two equivalent Fe(4), eight equivalent Fe(3), and two equivalent N(1) atoms. V(1) is bonded in a 14-coordinate geometry to one Sm(1), one V(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 V(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 V(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 Sm(1), two equivalent V(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form distorted FeSm2V2Fe8 cuboctahedra that share corners with ten equivalent Fe(3)Sm2V2Fe8 cuboctahedra, corners with two equivalent N(1)Sm2Fe4 octahedra, edges with four equivalent Fe(3)Sm2V2Fe8 cuboctahedra, faces with six equivalent Fe(3)Sm2V2Fe8 cuboctahedra, and faces with two equivalent N(1)Sm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 68°. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Sm(1), four equivalent V(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 Sm(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form NSm2Fe4 octahedra that share corners with eight equivalent Fe(3)Sm2V2Fe8 cuboctahedra, corners with two equivalent N(1)Sm2Fe4 octahedra, and faces with eight equivalent Fe(3)Sm2V2Fe8 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmV2Fe10N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.465
_cell_length_b   6.465
_cell_length_c   6.465
_cell_angle_alpha   136.706
_cell_angle_beta   98.263
_cell_angle_gamma   97.379
_symmetry_Int_Tables_number   1
_cell_volume   172.257
_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
  V  V1  1  0.640  0.000  0.640  1.0
  V  V2  1  0.360  0.000  0.360  1.0
  Fe  Fe3  1  0.772  0.272  0.500  1.0
  Fe  Fe4  1  0.228  0.728  0.500  1.0
  Fe  Fe5  1  0.223  0.500  0.723  1.0
  Fe  Fe6  1  0.777  0.500  0.277  1.0
  Fe  Fe7  1  0.500  0.000  0.000  1.0
  Fe  Fe8  1  0.500  0.500  0.500  1.0
  Fe  Fe9  1  0.000  0.000  0.500  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  Fe  Fe11  1  0.371  0.371  0.000  1.0
  Fe  Fe12  1  0.629  0.629  0.000  1.0
  N  N13  1  0.000  0.500  0.500  1.0
[/CIF]
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