The material structure described by Sm2NiIn3 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 12-coordinate geometry to two equivalent Ni(1), two equivalent In(3), four equivalent In(1), and four equivalent In(2) atoms. In the second Sm site, Sm(2) is bonded to four equivalent Ni(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form a mixture of edge and face-sharing SmIn8Ni4 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), one In(3), and two equivalent In(2) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Sm(2), four equivalent Sm(1), one In(2), and two equivalent In(3) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to two equivalent Sm(2), four equivalent Sm(1), two equivalent Ni(1), and one In(1) atom. In the third In site, In(3) is bonded in a 9-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), one Ni(1), and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_Sm2In3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.766
_cell_length_b   4.773
_cell_length_c   8.242
_cell_angle_alpha   90.021
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   148.142
_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  0.029  1.0
  Sm  Sm1  1  0.000  0.500  0.485  1.0
  In  In2  1  0.500  0.500  0.835  1.0
  In  In3  1  0.500  0.500  0.183  1.0
  In  In4  1  0.500  1.000  0.644  1.0
  Ni  Ni5  1  0.500  0.000  0.324  1.0
[/CIF]
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The material structure described by Sm2NiIn3 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 12-coordinate geometry to two equivalent Ni(1), two equivalent In(3), four equivalent In(1), and four equivalent In(2) atoms. In the second Sm site, Sm(2) is bonded to four equivalent Ni(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form a mixture of edge and face-sharing SmIn8Ni4 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), one In(3), and two equivalent In(2) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Sm(2), four equivalent Sm(1), one In(2), and two equivalent In(3) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to two equivalent Sm(2), four equivalent Sm(1), two equivalent Ni(1), and one In(1) atom. In the third In site, In(3) is bonded in a 9-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), one Ni(1), and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_Sm2In3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.766
_cell_length_b   4.773
_cell_length_c   8.242
_cell_angle_alpha   90.021
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   148.142
_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  0.029  1.0
  Sm  Sm1  1  0.000  0.500  0.485  1.0
  In  In2  1  0.500  0.500  0.835  1.0
  In  In3  1  0.500  0.500  0.183  1.0
  In  In4  1  0.500  1.000  0.644  1.0
  Ni  Ni5  1  0.500  0.000  0.324  1.0
[/CIF]
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