The crystal structure described by Sm2RuFe3 is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. Sm(1) is bonded in a 12-coordinate geometry to three equivalent Ru(1) and nine equivalent Fe(1) atoms. Ru(1) is bonded to six equivalent Sm(1) and six equivalent Fe(1) atoms to form RuSm6Fe6 cuboctahedra that share corners with six equivalent Ru(1)Sm6Fe6 cuboctahedra, corners with twelve equivalent Fe(1)Sm6Fe4Ru2 cuboctahedra, edges with six equivalent Ru(1)Sm6Fe6 cuboctahedra, and faces with eighteen equivalent Fe(1)Sm6Fe4Ru2 cuboctahedra. Fe(1) is bonded to six equivalent Sm(1), two equivalent Ru(1), and four equivalent Fe(1) atoms to form FeSm6Fe4Ru2 cuboctahedra that share corners with four equivalent Ru(1)Sm6Fe6 cuboctahedra, corners with fourteen equivalent Fe(1)Sm6Fe4Ru2 cuboctahedra, edges with six equivalent Fe(1)Sm6Fe4Ru2 cuboctahedra, faces with six equivalent Ru(1)Sm6Fe6 cuboctahedra, and faces with twelve equivalent Fe(1)Sm6Fe4Ru2 cuboctahedra. is represented by the CIF card [CIF]
data_Sm2Fe3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.238
_cell_length_b   5.238
_cell_length_c   5.333
_cell_angle_alpha   90.000
_cell_angle_beta   60.588
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   104.352
_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  0.500  0.750  0.750  1.0
  Sm  Sm1  1  1.000  1.000  0.000  1.0
  Fe  Fe2  1  0.250  0.375  0.375  1.0
  Fe  Fe3  1  0.250  0.875  0.375  1.0
  Fe  Fe4  1  0.750  0.375  0.375  1.0
  Ru  Ru5  1  0.750  0.375  0.875  1.0
[/CIF]
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The crystal structure described by Sm2RuFe3 is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. Sm(1) is bonded in a 12-coordinate geometry to three equivalent Ru(1) and nine equivalent Fe(1) atoms. Ru(1) is bonded to six equivalent Sm(1) and six equivalent Fe(1) atoms to form RuSm6Fe6 cuboctahedra that share corners with six equivalent Ru(1)Sm6Fe6 cuboctahedra, corners with twelve equivalent Fe(1)Sm6Fe4Ru2 cuboctahedra, edges with six equivalent Ru(1)Sm6Fe6 cuboctahedra, and faces with eighteen equivalent Fe(1)Sm6Fe4Ru2 cuboctahedra. Fe(1) is bonded to six equivalent Sm(1), two equivalent Ru(1), and four equivalent Fe(1) atoms to form FeSm6Fe4Ru2 cuboctahedra that share corners with four equivalent Ru(1)Sm6Fe6 cuboctahedra, corners with fourteen equivalent Fe(1)Sm6Fe4Ru2 cuboctahedra, edges with six equivalent Fe(1)Sm6Fe4Ru2 cuboctahedra, faces with six equivalent Ru(1)Sm6Fe6 cuboctahedra, and faces with twelve equivalent Fe(1)Sm6Fe4Ru2 cuboctahedra. is represented by the CIF card [CIF]
data_Sm2Fe3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.238
_cell_length_b   5.238
_cell_length_c   5.333
_cell_angle_alpha   90.000
_cell_angle_beta   60.588
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   104.352
_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  0.500  0.750  0.750  1.0
  Sm  Sm1  1  1.000  1.000  0.000  1.0
  Fe  Fe2  1  0.250  0.375  0.375  1.0
  Fe  Fe3  1  0.250  0.875  0.375  1.0
  Fe  Fe4  1  0.750  0.375  0.375  1.0
  Ru  Ru5  1  0.750  0.375  0.875  1.0
[/CIF]
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