The material structure described by Sm3(Ni3Al)2 crystallizes in the cubic Im-3m space group. Sm(1) is bonded in a 12-coordinate geometry to eight equivalent Ni(1) and four equivalent Al(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to four equivalent Sm(1), four equivalent Ni(1), and two equivalent Al(1) atoms. Al(1) is bonded to six equivalent Sm(1) and six equivalent Ni(1) atoms to form a mixture of distorted corner and face-sharing AlSm6Ni6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3(AlNi3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.762
_cell_length_b   7.762
_cell_length_c   7.762
_cell_angle_alpha   109.468
_cell_angle_beta   109.468
_cell_angle_gamma   109.469
_symmetry_Int_Tables_number   1
_cell_volume   360.023
_cell_formula_units_Z   2
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  0.294  0.000  0.294  1.0
  Sm  Sm1  1  1.000  0.294  0.294  1.0
  Sm  Sm2  1  1.000  0.706  0.706  1.0
  Sm  Sm3  1  0.706  0.000  0.706  1.0
  Sm  Sm4  1  0.294  0.294  0.000  1.0
  Sm  Sm5  1  0.706  0.706  0.000  1.0
  Al  Al6  1  0.500  0.000  0.000  1.0
  Al  Al7  1  1.000  0.500  1.000  1.0
  Al  Al8  1  0.500  0.500  0.500  1.0
  Al  Al9  1  1.000  1.000  0.500  1.0
  Ni  Ni10  1  0.667  0.334  0.667  1.0
  Ni  Ni11  1  0.667  0.333  1.000  1.0
  Ni  Ni12  1  0.333  0.667  0.000  1.0
  Ni  Ni13  1  0.334  0.667  0.667  1.0
  Ni  Ni14  1  0.667  0.667  0.334  1.0
  Ni  Ni15  1  0.333  0.666  0.333  1.0
  Ni  Ni16  1  0.333  0.333  0.666  1.0
  Ni  Ni17  1  0.666  0.333  0.333  1.0
  Ni  Ni18  1  1.000  0.667  0.333  1.0
  Ni  Ni19  1  0.667  0.000  0.333  1.0
  Ni  Ni20  1  0.333  0.000  0.667  1.0
  Ni  Ni21  1  1.000  0.333  0.667  1.0
[/CIF]
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The material structure described by Sm3(Ni3Al)2 crystallizes in the cubic Im-3m space group. Sm(1) is bonded in a 12-coordinate geometry to eight equivalent Ni(1) and four equivalent Al(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to four equivalent Sm(1), four equivalent Ni(1), and two equivalent Al(1) atoms. Al(1) is bonded to six equivalent Sm(1) and six equivalent Ni(1) atoms to form a mixture of distorted corner and face-sharing AlSm6Ni6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3(AlNi3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.762
_cell_length_b   7.762
_cell_length_c   7.762
_cell_angle_alpha   109.468
_cell_angle_beta   109.468
_cell_angle_gamma   109.469
_symmetry_Int_Tables_number   1
_cell_volume   360.023
_cell_formula_units_Z   2
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  0.294  0.000  0.294  1.0
  Sm  Sm1  1  1.000  0.294  0.294  1.0
  Sm  Sm2  1  1.000  0.706  0.706  1.0
  Sm  Sm3  1  0.706  0.000  0.706  1.0
  Sm  Sm4  1  0.294  0.294  0.000  1.0
  Sm  Sm5  1  0.706  0.706  0.000  1.0
  Al  Al6  1  0.500  0.000  0.000  1.0
  Al  Al7  1  1.000  0.500  1.000  1.0
  Al  Al8  1  0.500  0.500  0.500  1.0
  Al  Al9  1  1.000  1.000  0.500  1.0
  Ni  Ni10  1  0.667  0.334  0.667  1.0
  Ni  Ni11  1  0.667  0.333  1.000  1.0
  Ni  Ni12  1  0.333  0.667  0.000  1.0
  Ni  Ni13  1  0.334  0.667  0.667  1.0
  Ni  Ni14  1  0.667  0.667  0.334  1.0
  Ni  Ni15  1  0.333  0.666  0.333  1.0
  Ni  Ni16  1  0.333  0.333  0.666  1.0
  Ni  Ni17  1  0.666  0.333  0.333  1.0
  Ni  Ni18  1  1.000  0.667  0.333  1.0
  Ni  Ni19  1  0.667  0.000  0.333  1.0
  Ni  Ni20  1  0.333  0.000  0.667  1.0
  Ni  Ni21  1  1.000  0.333  0.667  1.0
[/CIF]
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