The compound described by SmZn5 crystallizes in the hexagonal P6/mmm space group. Sm(1) is bonded in a 18-coordinate geometry to six equivalent Zn(2) and twelve equivalent Zn(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Sm(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form a mixture of edge, face, and corner-sharing ZnSm4Zn8 cuboctahedra. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to three equivalent Sm(1) and six equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.290
_cell_length_b   5.290
_cell_length_c   4.197
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   101.715
_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
  Zn  Zn1  1  0.500  0.000  0.500  1.0
  Zn  Zn2  1  0.000  0.500  0.500  1.0
  Zn  Zn3  1  0.667  0.333  0.000  1.0
  Zn  Zn4  1  0.500  0.500  0.500  1.0
  Zn  Zn5  1  0.333  0.667  0.000  1.0
[/CIF]
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The compound described by SmZn5 crystallizes in the hexagonal P6/mmm space group. Sm(1) is bonded in a 18-coordinate geometry to six equivalent Zn(2) and twelve equivalent Zn(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Sm(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form a mixture of edge, face, and corner-sharing ZnSm4Zn8 cuboctahedra. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to three equivalent Sm(1) and six equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.290
_cell_length_b   5.290
_cell_length_c   4.197
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   101.715
_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
  Zn  Zn1  1  0.500  0.000  0.500  1.0
  Zn  Zn2  1  0.000  0.500  0.500  1.0
  Zn  Zn3  1  0.667  0.333  0.000  1.0
  Zn  Zn4  1  0.500  0.500  0.500  1.0
  Zn  Zn5  1  0.333  0.667  0.000  1.0
[/CIF]
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