The material described by SmNi5 crystallizes in the hexagonal P6/mmm space group. Sm(1) is bonded in a 18-coordinate geometry to six equivalent Ni(1) and twelve equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Sm(1) and six equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded to four equivalent Sm(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of corner, face, and edge-sharing NiSm4Ni8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.884
_cell_length_b   4.884
_cell_length_c   3.919
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   80.961
_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
  Ni  Ni1  1  0.333  0.667  0.000  1.0
  Ni  Ni2  1  0.667  0.333  0.000  1.0
  Ni  Ni3  1  0.500  0.000  0.500  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
[/CIF]
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The material described by SmNi5 crystallizes in the hexagonal P6/mmm space group. Sm(1) is bonded in a 18-coordinate geometry to six equivalent Ni(1) and twelve equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Sm(1) and six equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded to four equivalent Sm(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of corner, face, and edge-sharing NiSm4Ni8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.884
_cell_length_b   4.884
_cell_length_c   3.919
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   80.961
_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
  Ni  Ni1  1  0.333  0.667  0.000  1.0
  Ni  Ni2  1  0.667  0.333  0.000  1.0
  Ni  Ni3  1  0.500  0.000  0.500  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
[/CIF]
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