The material described by Sm3In5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to one In(3), four equivalent In(1), and four equivalent In(2) atoms. In the second Sm site, Sm(2) is bonded in a 10-coordinate geometry to two equivalent In(3), four equivalent In(1), and four equivalent In(2) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), two equivalent In(2), and two equivalent In(3) atoms. In the second In site, In(2) is bonded in a 10-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), one In(2), one In(3), and two equivalent In(1) atoms. In the third In site, In(3) is bonded in a 5-coordinate geometry to one Sm(1), four equivalent Sm(2), two equivalent In(2), and four equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Sm3In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.480
_cell_length_b   6.480
_cell_length_c   10.464
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   101.484
_symmetry_Int_Tables_number   1
_cell_volume   430.570
_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  0.131  0.131  0.250  1.0
  Sm  Sm1  1  0.869  0.869  0.750  1.0
  Sm  Sm2  1  0.702  0.298  1.000  1.0
  Sm  Sm3  1  0.702  0.298  0.500  1.0
  Sm  Sm4  1  0.298  0.702  1.000  1.0
  Sm  Sm5  1  0.298  0.702  0.500  1.0
  In  In6  1  0.006  0.579  0.250  1.0
  In  In7  1  0.421  0.994  0.750  1.0
  In  In8  1  0.994  0.421  0.750  1.0
  In  In9  1  0.579  0.006  0.250  1.0
  In  In10  1  0.189  0.189  0.952  1.0
  In  In11  1  0.811  0.811  0.048  1.0
  In  In12  1  0.189  0.189  0.548  1.0
  In  In13  1  0.811  0.811  0.452  1.0
  In  In14  1  0.513  0.513  0.250  1.0
  In  In15  1  0.487  0.487  0.750  1.0
[/CIF]
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The material described by Sm3In5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to one In(3), four equivalent In(1), and four equivalent In(2) atoms. In the second Sm site, Sm(2) is bonded in a 10-coordinate geometry to two equivalent In(3), four equivalent In(1), and four equivalent In(2) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), two equivalent In(2), and two equivalent In(3) atoms. In the second In site, In(2) is bonded in a 10-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), one In(2), one In(3), and two equivalent In(1) atoms. In the third In site, In(3) is bonded in a 5-coordinate geometry to one Sm(1), four equivalent Sm(2), two equivalent In(2), and four equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Sm3In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.480
_cell_length_b   6.480
_cell_length_c   10.464
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   101.484
_symmetry_Int_Tables_number   1
_cell_volume   430.570
_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  0.131  0.131  0.250  1.0
  Sm  Sm1  1  0.869  0.869  0.750  1.0
  Sm  Sm2  1  0.702  0.298  1.000  1.0
  Sm  Sm3  1  0.702  0.298  0.500  1.0
  Sm  Sm4  1  0.298  0.702  1.000  1.0
  Sm  Sm5  1  0.298  0.702  0.500  1.0
  In  In6  1  0.006  0.579  0.250  1.0
  In  In7  1  0.421  0.994  0.750  1.0
  In  In8  1  0.994  0.421  0.750  1.0
  In  In9  1  0.579  0.006  0.250  1.0
  In  In10  1  0.189  0.189  0.952  1.0
  In  In11  1  0.811  0.811  0.048  1.0
  In  In12  1  0.189  0.189  0.548  1.0
  In  In13  1  0.811  0.811  0.452  1.0
  In  In14  1  0.513  0.513  0.250  1.0
  In  In15  1  0.487  0.487  0.750  1.0
[/CIF]
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