The crystal structure described by Sm11Ni4In9 crystallizes in the orthorhombic Cmmm space group. There are five inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to two equivalent Ni(1), two equivalent In(2), and four equivalent In(1) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to four equivalent In(1) and four equivalent In(2) atoms. In the third Sm site, Sm(3) is bonded in a 10-coordinate geometry to four equivalent Ni(1), two equivalent In(3), and four equivalent In(1) atoms. In the fourth Sm site, Sm(4) is bonded in a 10-coordinate geometry to four equivalent Ni(1), two equivalent In(3), and four equivalent In(2) atoms. In the fifth Sm site, Sm(5) is bonded in a distorted body-centered cubic geometry to eight equivalent In(2) atoms. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Sm(1), two equivalent Sm(3), two equivalent Sm(4), one In(1), one In(2), and one In(3) atom. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to two equivalent Sm(2), two equivalent Sm(3), four equivalent Sm(1), one Ni(1), and one In(1) atom. In the second In site, In(2) is bonded in a 10-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Sm(4), two equivalent Sm(5), one Ni(1), and one In(2) atom. In the third In site, In(3) is bonded to four equivalent Sm(3), four equivalent Sm(4), and four equivalent Ni(1) atoms to form face-sharing InSm8Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_Sm11In9Ni4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.195
_cell_length_b   13.195
_cell_length_c   3.705
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.608
_symmetry_Int_Tables_number   1
_cell_volume   595.528
_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  0.417  0.079  0.000  1.0
  Sm  Sm1  1  0.583  0.921  0.000  1.0
  Sm  Sm2  1  0.079  0.417  0.000  1.0
  Sm  Sm3  1  0.921  0.583  0.000  1.0
  Sm  Sm4  1  0.161  0.839  0.000  1.0
  Sm  Sm5  1  0.839  0.161  0.000  1.0
  Sm  Sm6  1  0.375  0.625  0.000  1.0
  Sm  Sm7  1  0.625  0.375  0.000  1.0
  Sm  Sm8  1  0.313  0.313  0.000  1.0
  Sm  Sm9  1  0.687  0.687  0.000  1.0
  Sm  Sm10  1  0.000  0.000  0.000  1.0
  In  In11  1  0.367  0.838  0.500  1.0
  In  In12  1  0.633  0.162  0.500  1.0
  In  In13  1  0.838  0.367  0.500  1.0
  In  In14  1  0.162  0.633  0.500  1.0
  In  In15  1  0.220  0.080  0.500  1.0
  In  In16  1  0.780  0.920  0.500  1.0
  In  In17  1  0.080  0.220  0.500  1.0
  In  In18  1  0.920  0.780  0.500  1.0
  In  In19  1  0.500  0.500  0.500  1.0
  Ni  Ni20  1  0.449  0.245  0.500  1.0
  Ni  Ni21  1  0.551  0.755  0.500  1.0
  Ni  Ni22  1  0.245  0.449  0.500  1.0
  Ni  Ni23  1  0.755  0.551  0.500  1.0
[/CIF]
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The crystal structure described by Sm11Ni4In9 crystallizes in the orthorhombic Cmmm space group. There are five inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to two equivalent Ni(1), two equivalent In(2), and four equivalent In(1) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to four equivalent In(1) and four equivalent In(2) atoms. In the third Sm site, Sm(3) is bonded in a 10-coordinate geometry to four equivalent Ni(1), two equivalent In(3), and four equivalent In(1) atoms. In the fourth Sm site, Sm(4) is bonded in a 10-coordinate geometry to four equivalent Ni(1), two equivalent In(3), and four equivalent In(2) atoms. In the fifth Sm site, Sm(5) is bonded in a distorted body-centered cubic geometry to eight equivalent In(2) atoms. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Sm(1), two equivalent Sm(3), two equivalent Sm(4), one In(1), one In(2), and one In(3) atom. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to two equivalent Sm(2), two equivalent Sm(3), four equivalent Sm(1), one Ni(1), and one In(1) atom. In the second In site, In(2) is bonded in a 10-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Sm(4), two equivalent Sm(5), one Ni(1), and one In(2) atom. In the third In site, In(3) is bonded to four equivalent Sm(3), four equivalent Sm(4), and four equivalent Ni(1) atoms to form face-sharing InSm8Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_Sm11In9Ni4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.195
_cell_length_b   13.195
_cell_length_c   3.705
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.608
_symmetry_Int_Tables_number   1
_cell_volume   595.528
_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  0.417  0.079  0.000  1.0
  Sm  Sm1  1  0.583  0.921  0.000  1.0
  Sm  Sm2  1  0.079  0.417  0.000  1.0
  Sm  Sm3  1  0.921  0.583  0.000  1.0
  Sm  Sm4  1  0.161  0.839  0.000  1.0
  Sm  Sm5  1  0.839  0.161  0.000  1.0
  Sm  Sm6  1  0.375  0.625  0.000  1.0
  Sm  Sm7  1  0.625  0.375  0.000  1.0
  Sm  Sm8  1  0.313  0.313  0.000  1.0
  Sm  Sm9  1  0.687  0.687  0.000  1.0
  Sm  Sm10  1  0.000  0.000  0.000  1.0
  In  In11  1  0.367  0.838  0.500  1.0
  In  In12  1  0.633  0.162  0.500  1.0
  In  In13  1  0.838  0.367  0.500  1.0
  In  In14  1  0.162  0.633  0.500  1.0
  In  In15  1  0.220  0.080  0.500  1.0
  In  In16  1  0.780  0.920  0.500  1.0
  In  In17  1  0.080  0.220  0.500  1.0
  In  In18  1  0.920  0.780  0.500  1.0
  In  In19  1  0.500  0.500  0.500  1.0
  Ni  Ni20  1  0.449  0.245  0.500  1.0
  Ni  Ni21  1  0.551  0.755  0.500  1.0
  Ni  Ni22  1  0.245  0.449  0.500  1.0
  Ni  Ni23  1  0.755  0.551  0.500  1.0
[/CIF]
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