The material described by Sm3(Ni3Sn2)2 crystallizes in the hexagonal P6_3mc space group. Sm(1) is bonded in a 10-coordinate geometry to two equivalent Ni(2), four equivalent Ni(1), two equivalent Sn(2), and four equivalent Sn(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 11-coordinate geometry to four equivalent Sm(1), three equivalent Ni(2), one Sn(2), and three equivalent Sn(1) atoms. In the second Ni site, Ni(2) is bonded in a distorted q6 geometry to two equivalent Sm(1), two equivalent Ni(2), three equivalent Ni(1), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted q6 geometry to four equivalent Sm(1), three equivalent Ni(1), and three equivalent Ni(2) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to six equivalent Sm(1) and three equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3(Ni3Sn2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.884
_cell_length_b   8.884
_cell_length_c   7.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   514.988
_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  0.523  0.477  0.209  1.0
  Sm  Sm1  1  0.523  0.046  0.209  1.0
  Sm  Sm2  1  0.477  0.523  0.709  1.0
  Sm  Sm3  1  0.954  0.477  0.209  1.0
  Sm  Sm4  1  0.477  0.954  0.709  1.0
  Sm  Sm5  1  0.046  0.523  0.709  1.0
  Ni  Ni6  1  0.166  0.834  0.050  1.0
  Ni  Ni7  1  0.166  0.332  0.050  1.0
  Ni  Ni8  1  0.834  0.166  0.550  1.0
  Ni  Ni9  1  0.668  0.834  0.050  1.0
  Ni  Ni10  1  0.834  0.668  0.550  1.0
  Ni  Ni11  1  0.332  0.166  0.550  1.0
  Ni  Ni12  1  0.904  0.096  0.225  1.0
  Ni  Ni13  1  0.904  0.808  0.225  1.0
  Ni  Ni14  1  0.096  0.904  0.725  1.0
  Ni  Ni15  1  0.192  0.096  0.225  1.0
  Ni  Ni16  1  0.096  0.192  0.725  1.0
  Ni  Ni17  1  0.808  0.904  0.725  1.0
  Sn  Sn18  1  0.160  0.840  0.414  1.0
  Sn  Sn19  1  0.160  0.319  0.414  1.0
  Sn  Sn20  1  0.840  0.160  0.914  1.0
  Sn  Sn21  1  0.681  0.840  0.414  1.0
  Sn  Sn22  1  0.840  0.681  0.914  1.0
  Sn  Sn23  1  0.319  0.160  0.914  1.0
  Sn  Sn24  1  0.333  0.667  0.023  1.0
  Sn  Sn25  1  0.667  0.333  0.523  1.0
[/CIF]
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The material described by Sm3(Ni3Sn2)2 crystallizes in the hexagonal P6_3mc space group. Sm(1) is bonded in a 10-coordinate geometry to two equivalent Ni(2), four equivalent Ni(1), two equivalent Sn(2), and four equivalent Sn(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 11-coordinate geometry to four equivalent Sm(1), three equivalent Ni(2), one Sn(2), and three equivalent Sn(1) atoms. In the second Ni site, Ni(2) is bonded in a distorted q6 geometry to two equivalent Sm(1), two equivalent Ni(2), three equivalent Ni(1), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted q6 geometry to four equivalent Sm(1), three equivalent Ni(1), and three equivalent Ni(2) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to six equivalent Sm(1) and three equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3(Ni3Sn2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.884
_cell_length_b   8.884
_cell_length_c   7.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   514.988
_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  0.523  0.477  0.209  1.0
  Sm  Sm1  1  0.523  0.046  0.209  1.0
  Sm  Sm2  1  0.477  0.523  0.709  1.0
  Sm  Sm3  1  0.954  0.477  0.209  1.0
  Sm  Sm4  1  0.477  0.954  0.709  1.0
  Sm  Sm5  1  0.046  0.523  0.709  1.0
  Ni  Ni6  1  0.166  0.834  0.050  1.0
  Ni  Ni7  1  0.166  0.332  0.050  1.0
  Ni  Ni8  1  0.834  0.166  0.550  1.0
  Ni  Ni9  1  0.668  0.834  0.050  1.0
  Ni  Ni10  1  0.834  0.668  0.550  1.0
  Ni  Ni11  1  0.332  0.166  0.550  1.0
  Ni  Ni12  1  0.904  0.096  0.225  1.0
  Ni  Ni13  1  0.904  0.808  0.225  1.0
  Ni  Ni14  1  0.096  0.904  0.725  1.0
  Ni  Ni15  1  0.192  0.096  0.225  1.0
  Ni  Ni16  1  0.096  0.192  0.725  1.0
  Ni  Ni17  1  0.808  0.904  0.725  1.0
  Sn  Sn18  1  0.160  0.840  0.414  1.0
  Sn  Sn19  1  0.160  0.319  0.414  1.0
  Sn  Sn20  1  0.840  0.160  0.914  1.0
  Sn  Sn21  1  0.681  0.840  0.414  1.0
  Sn  Sn22  1  0.840  0.681  0.914  1.0
  Sn  Sn23  1  0.319  0.160  0.914  1.0
  Sn  Sn24  1  0.333  0.667  0.023  1.0
  Sn  Sn25  1  0.667  0.333  0.523  1.0
[/CIF]
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