The material structure described by Sm(CuIn)6 crystallizes in the orthorhombic Immm space group. Sm(1) is bonded in a 20-coordinate geometry to four equivalent Cu(2), eight equivalent Cu(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Sm(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form a mixture of distorted edge, face, and corner-sharing CuSm2In6Cu4 cuboctahedra. In the second Cu site, Cu(2) is bonded to two equivalent Sm(1), four equivalent Cu(1), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form a mixture of distorted edge, face, and corner-sharing CuSm2In6Cu4 cuboctahedra. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 8-coordinate geometry to one Sm(1), two equivalent Cu(2), four equivalent Cu(1), and one In(1) atom. In the second In site, In(2) is bonded in a 7-coordinate geometry to one Sm(1), two equivalent Cu(2), and four equivalent Cu(1) atoms. In the third In site, In(3) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Cu(2), and four equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm(InCu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.163
_cell_length_b   7.163
_cell_length_c   7.163
_cell_angle_alpha   136.198
_cell_angle_beta   98.714
_cell_angle_gamma   97.283
_symmetry_Int_Tables_number   1
_cell_volume   236.017
_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
  In  In1  1  0.664  0.000  0.664  1.0
  In  In2  1  0.336  0.000  0.336  1.0
  In  In3  1  0.658  0.658  0.000  1.0
  In  In4  1  0.342  0.342  0.000  1.0
  In  In5  1  0.179  0.679  0.500  1.0
  In  In6  1  0.821  0.321  0.500  1.0
  Cu  Cu7  1  0.000  0.000  0.500  1.0
  Cu  Cu8  1  0.000  0.500  0.000  1.0
  Cu  Cu9  1  0.500  0.500  0.500  1.0
  Cu  Cu10  1  0.500  0.000  0.000  1.0
  Cu  Cu11  1  0.237  0.500  0.737  1.0
  Cu  Cu12  1  0.763  0.500  0.263  1.0
[/CIF]
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The material structure described by Sm(CuIn)6 crystallizes in the orthorhombic Immm space group. Sm(1) is bonded in a 20-coordinate geometry to four equivalent Cu(2), eight equivalent Cu(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Sm(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form a mixture of distorted edge, face, and corner-sharing CuSm2In6Cu4 cuboctahedra. In the second Cu site, Cu(2) is bonded to two equivalent Sm(1), four equivalent Cu(1), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form a mixture of distorted edge, face, and corner-sharing CuSm2In6Cu4 cuboctahedra. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 8-coordinate geometry to one Sm(1), two equivalent Cu(2), four equivalent Cu(1), and one In(1) atom. In the second In site, In(2) is bonded in a 7-coordinate geometry to one Sm(1), two equivalent Cu(2), and four equivalent Cu(1) atoms. In the third In site, In(3) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Cu(2), and four equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm(InCu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.163
_cell_length_b   7.163
_cell_length_c   7.163
_cell_angle_alpha   136.198
_cell_angle_beta   98.714
_cell_angle_gamma   97.283
_symmetry_Int_Tables_number   1
_cell_volume   236.017
_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
  In  In1  1  0.664  0.000  0.664  1.0
  In  In2  1  0.336  0.000  0.336  1.0
  In  In3  1  0.658  0.658  0.000  1.0
  In  In4  1  0.342  0.342  0.000  1.0
  In  In5  1  0.179  0.679  0.500  1.0
  In  In6  1  0.821  0.321  0.500  1.0
  Cu  Cu7  1  0.000  0.000  0.500  1.0
  Cu  Cu8  1  0.000  0.500  0.000  1.0
  Cu  Cu9  1  0.500  0.500  0.500  1.0
  Cu  Cu10  1  0.500  0.000  0.000  1.0
  Cu  Cu11  1  0.237  0.500  0.737  1.0
  Cu  Cu12  1  0.763  0.500  0.263  1.0
[/CIF]
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