The material structure described by SmNi3Sn2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2), six equivalent Ni(1), three equivalent Sn(1), and six equivalent Sn(2) atoms. In the second Sm site, Sm(2) is bonded in a 12-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Sn(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to one Sm(2), two equivalent Sm(1), one Ni(1), two equivalent Ni(2), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Sm(1), two equivalent Sm(2), four equivalent Ni(1), two equivalent Sn(1), and two equivalent Sn(2) atoms to form a mixture of distorted corner and face-sharing NiSm4Ni4Sn4 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to four equivalent Sm(1), two equivalent Ni(2), and four equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_SmNi3Sn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.265
_cell_length_b   9.338
_cell_length_c   9.338
_cell_angle_alpha   59.974
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   322.010
_cell_formula_units_Z   3
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  0.333  0.334  1.0
  Sm  Sm1  1  0.500  0.666  0.667  1.0
  Sm  Sm2  1  0.000  1.000  0.000  1.0
  Ni  Ni3  1  0.000  0.206  0.167  1.0
  Ni  Ni4  1  0.000  0.167  0.628  1.0
  Ni  Ni5  1  0.000  0.627  0.206  1.0
  Ni  Ni6  1  0.000  0.833  0.794  1.0
  Ni  Ni7  1  0.000  0.372  0.833  1.0
  Ni  Ni8  1  0.000  0.794  0.373  1.0
  Ni  Ni9  1  0.500  0.295  0.705  1.0
  Ni  Ni10  1  0.500  0.706  1.000  1.0
  Ni  Ni11  1  0.500  0.000  0.294  1.0
  Sn  Sn12  1  0.500  0.744  0.256  1.0
  Sn  Sn13  1  0.500  0.256  1.000  1.0
  Sn  Sn14  1  0.500  0.000  0.744  1.0
  Sn  Sn15  1  0.000  0.470  0.530  1.0
  Sn  Sn16  1  0.000  0.529  1.000  1.0
  Sn  Sn17  1  0.000  0.000  0.471  1.0
[/CIF]
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The material structure described by SmNi3Sn2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2), six equivalent Ni(1), three equivalent Sn(1), and six equivalent Sn(2) atoms. In the second Sm site, Sm(2) is bonded in a 12-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Sn(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to one Sm(2), two equivalent Sm(1), one Ni(1), two equivalent Ni(2), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Sm(1), two equivalent Sm(2), four equivalent Ni(1), two equivalent Sn(1), and two equivalent Sn(2) atoms to form a mixture of distorted corner and face-sharing NiSm4Ni4Sn4 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to four equivalent Sm(1), two equivalent Ni(2), and four equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_SmNi3Sn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.265
_cell_length_b   9.338
_cell_length_c   9.338
_cell_angle_alpha   59.974
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   322.010
_cell_formula_units_Z   3
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  0.333  0.334  1.0
  Sm  Sm1  1  0.500  0.666  0.667  1.0
  Sm  Sm2  1  0.000  1.000  0.000  1.0
  Ni  Ni3  1  0.000  0.206  0.167  1.0
  Ni  Ni4  1  0.000  0.167  0.628  1.0
  Ni  Ni5  1  0.000  0.627  0.206  1.0
  Ni  Ni6  1  0.000  0.833  0.794  1.0
  Ni  Ni7  1  0.000  0.372  0.833  1.0
  Ni  Ni8  1  0.000  0.794  0.373  1.0
  Ni  Ni9  1  0.500  0.295  0.705  1.0
  Ni  Ni10  1  0.500  0.706  1.000  1.0
  Ni  Ni11  1  0.500  0.000  0.294  1.0
  Sn  Sn12  1  0.500  0.744  0.256  1.0
  Sn  Sn13  1  0.500  0.256  1.000  1.0
  Sn  Sn14  1  0.500  0.000  0.744  1.0
  Sn  Sn15  1  0.000  0.470  0.530  1.0
  Sn  Sn16  1  0.000  0.529  1.000  1.0
  Sn  Sn17  1  0.000  0.000  0.471  1.0
[/CIF]
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