The material structure described by Sm2Cu4Sn5 crystallizes in the tetragonal I4mm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), four equivalent Cu(3), and four equivalent Sn(2) atoms. In the second Sm site, Sm(2) is bonded in a 13-coordinate geometry to one Cu(1), four equivalent Cu(2), four equivalent Sn(1), and four equivalent Sn(3) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to one Sm(2), four equivalent Sm(1), one Cu(3), and four equivalent Cu(2) atoms. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Cu(1), and two equivalent Sn(3) atoms. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to four equivalent Sm(1), one Cu(1), and four equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to two equivalent Sm(2), one Sn(2), and four equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Sm(1), two equivalent Cu(3), one Sn(1), and four equivalent Sn(2) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to four equivalent Sm(2) and four equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_Sm2Cu4Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.901
_cell_length_b   12.901
_cell_length_c   12.901
_cell_angle_alpha   160.252
_cell_angle_beta   160.252
_cell_angle_gamma   28.069
_symmetry_Int_Tables_number   1
_cell_volume   244.991
_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  0.004  0.004  0.000  1.0
  Sm  Sm1  1  0.684  0.684  0.000  1.0
  Cu  Cu2  1  0.550  0.550  0.000  1.0
  Cu  Cu3  1  0.593  0.093  0.500  1.0
  Cu  Cu4  1  0.456  0.456  0.000  1.0
  Cu  Cu5  1  0.093  0.593  0.500  1.0
  Sn  Sn6  1  0.781  0.281  0.500  1.0
  Sn  Sn7  1  0.281  0.781  0.500  1.0
  Sn  Sn8  1  0.397  0.897  0.500  1.0
  Sn  Sn9  1  0.897  0.397  0.500  1.0
  Sn  Sn10  1  0.152  0.152  0.000  1.0
[/CIF]
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The material structure described by Sm2Cu4Sn5 crystallizes in the tetragonal I4mm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), four equivalent Cu(3), and four equivalent Sn(2) atoms. In the second Sm site, Sm(2) is bonded in a 13-coordinate geometry to one Cu(1), four equivalent Cu(2), four equivalent Sn(1), and four equivalent Sn(3) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to one Sm(2), four equivalent Sm(1), one Cu(3), and four equivalent Cu(2) atoms. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Cu(1), and two equivalent Sn(3) atoms. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to four equivalent Sm(1), one Cu(1), and four equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to two equivalent Sm(2), one Sn(2), and four equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Sm(1), two equivalent Cu(3), one Sn(1), and four equivalent Sn(2) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to four equivalent Sm(2) and four equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_Sm2Cu4Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.901
_cell_length_b   12.901
_cell_length_c   12.901
_cell_angle_alpha   160.252
_cell_angle_beta   160.252
_cell_angle_gamma   28.069
_symmetry_Int_Tables_number   1
_cell_volume   244.991
_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  0.004  0.004  0.000  1.0
  Sm  Sm1  1  0.684  0.684  0.000  1.0
  Cu  Cu2  1  0.550  0.550  0.000  1.0
  Cu  Cu3  1  0.593  0.093  0.500  1.0
  Cu  Cu4  1  0.456  0.456  0.000  1.0
  Cu  Cu5  1  0.093  0.593  0.500  1.0
  Sn  Sn6  1  0.781  0.281  0.500  1.0
  Sn  Sn7  1  0.281  0.781  0.500  1.0
  Sn  Sn8  1  0.397  0.897  0.500  1.0
  Sn  Sn9  1  0.897  0.397  0.500  1.0
  Sn  Sn10  1  0.152  0.152  0.000  1.0
[/CIF]
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