The material structure described by Sm2(CuSn)3 crystallizes in the orthorhombic Pmmm space group. Sm(1) is bonded in a 6-coordinate geometry to four equivalent Sm(1), one Cu(1), and one Sn(1) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one Sm(1), four equivalent Cu(1), and one Sn(2) atom. In the second Cu site, Cu(2) is bonded to four equivalent Cu(2) and two equivalent Sn(1) atoms to form distorted CuCu4Sn2 octahedra that share corners with four equivalent Cu(2)Cu4Sn2 octahedra, edges with four equivalent Cu(2)Cu4Sn2 octahedra, and edges with eight equivalent Sn(1)SmCuSn4 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one Sm(1), one Cu(2), and four equivalent Sn(1) atoms to form distorted SnSmCuSn4 octahedra that share corners with five equivalent Sn(1)SmCuSn4 octahedra, edges with four equivalent Cu(2)Cu4Sn2 octahedra, and edges with four equivalent Sn(1)SmCuSn4 octahedra. The corner-sharing octahedra are not tilted. In the second Sn site, Sn(2) is bonded to two equivalent Cu(1) and four equivalent Sn(2) atoms to form a mixture of distorted corner and edge-sharing SnCu2Sn4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2(CuSn)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.212
_cell_length_b   2.874
_cell_length_c   22.430
_cell_angle_alpha   90.173
_cell_angle_beta   89.739
_cell_angle_gamma   90.050
_symmetry_Int_Tables_number   1
_cell_volume   207.001
_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  0.500  0.500  0.755  1.0
  Sm  Sm1  1  0.500  0.500  0.245  1.0
  Cu  Cu2  1  0.500  0.500  0.118  1.0
  Cu  Cu3  1  0.500  0.500  0.882  1.0
  Cu  Cu4  1  0.500  0.500  0.500  1.0
  Sn  Sn5  1  0.500  0.500  0.387  1.0
  Sn  Sn6  1  0.500  0.500  0.613  1.0
  Sn  Sn7  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Sm2(CuSn)3 crystallizes in the orthorhombic Pmmm space group. Sm(1) is bonded in a 6-coordinate geometry to four equivalent Sm(1), one Cu(1), and one Sn(1) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one Sm(1), four equivalent Cu(1), and one Sn(2) atom. In the second Cu site, Cu(2) is bonded to four equivalent Cu(2) and two equivalent Sn(1) atoms to form distorted CuCu4Sn2 octahedra that share corners with four equivalent Cu(2)Cu4Sn2 octahedra, edges with four equivalent Cu(2)Cu4Sn2 octahedra, and edges with eight equivalent Sn(1)SmCuSn4 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one Sm(1), one Cu(2), and four equivalent Sn(1) atoms to form distorted SnSmCuSn4 octahedra that share corners with five equivalent Sn(1)SmCuSn4 octahedra, edges with four equivalent Cu(2)Cu4Sn2 octahedra, and edges with four equivalent Sn(1)SmCuSn4 octahedra. The corner-sharing octahedra are not tilted. In the second Sn site, Sn(2) is bonded to two equivalent Cu(1) and four equivalent Sn(2) atoms to form a mixture of distorted corner and edge-sharing SnCu2Sn4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2(CuSn)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.212
_cell_length_b   2.874
_cell_length_c   22.430
_cell_angle_alpha   90.173
_cell_angle_beta   89.739
_cell_angle_gamma   90.050
_symmetry_Int_Tables_number   1
_cell_volume   207.001
_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  0.500  0.500  0.755  1.0
  Sm  Sm1  1  0.500  0.500  0.245  1.0
  Cu  Cu2  1  0.500  0.500  0.118  1.0
  Cu  Cu3  1  0.500  0.500  0.882  1.0
  Cu  Cu4  1  0.500  0.500  0.500  1.0
  Sn  Sn5  1  0.500  0.500  0.387  1.0
  Sn  Sn6  1  0.500  0.500  0.613  1.0
  Sn  Sn7  1  0.500  0.500  0.000  1.0
[/CIF]
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