The material structure described by MgSm4Ir crystallizes in the cubic F-43m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent Sm(1), three equivalent Sm(2), and three equivalent Sm(3) atoms to form a mixture of face and corner-sharing MgSm9Mg3 cuboctahedra. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1) and three equivalent Ir(1) atoms. In the second Sm site, Sm(2) is bonded in a bent 150 degrees geometry to two equivalent Mg(1) and two equivalent Ir(1) atoms. In the third Sm site, Sm(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Ir(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to three equivalent Sm(1), three equivalent Sm(2), and three equivalent Sm(3) atoms. is represented by the CIF file [CIF]
data_Sm4MgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.882
_cell_length_b   9.882
_cell_length_c   9.882
_cell_angle_alpha   59.999
_cell_angle_beta   59.998
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   682.278
_cell_formula_units_Z   4
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  0.596  0.596  0.596  1.0
  Sm  Sm1  1  0.596  0.596  0.212  1.0
  Sm  Sm2  1  0.596  0.212  0.596  1.0
  Sm  Sm3  1  0.212  0.596  0.596  1.0
  Sm  Sm4  1  0.062  0.438  0.438  1.0
  Sm  Sm5  1  0.438  0.062  0.062  1.0
  Sm  Sm6  1  0.438  0.062  0.438  1.0
  Sm  Sm7  1  0.062  0.438  0.062  1.0
  Sm  Sm8  1  0.438  0.438  0.062  1.0
  Sm  Sm9  1  0.062  0.062  0.438  1.0
  Sm  Sm10  1  0.188  0.812  0.812  1.0
  Sm  Sm11  1  0.812  0.188  0.188  1.0
  Sm  Sm12  1  0.812  0.188  0.812  1.0
  Sm  Sm13  1  0.188  0.812  0.188  1.0
  Sm  Sm14  1  0.812  0.812  0.188  1.0
  Sm  Sm15  1  0.188  0.188  0.812  1.0
  Mg  Mg16  1  0.829  0.829  0.829  1.0
  Mg  Mg17  1  0.829  0.829  0.514  1.0
  Mg  Mg18  1  0.829  0.514  0.829  1.0
  Mg  Mg19  1  0.514  0.829  0.829  1.0
  Ir  Ir20  1  0.391  0.391  0.391  1.0
  Ir  Ir21  1  0.391  0.391  0.826  1.0
  Ir  Ir22  1  0.391  0.826  0.391  1.0
  Ir  Ir23  1  0.826  0.391  0.391  1.0
[/CIF]
.
The material structure described by MgSm4Ir crystallizes in the cubic F-43m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent Sm(1), three equivalent Sm(2), and three equivalent Sm(3) atoms to form a mixture of face and corner-sharing MgSm9Mg3 cuboctahedra. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1) and three equivalent Ir(1) atoms. In the second Sm site, Sm(2) is bonded in a bent 150 degrees geometry to two equivalent Mg(1) and two equivalent Ir(1) atoms. In the third Sm site, Sm(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Ir(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to three equivalent Sm(1), three equivalent Sm(2), and three equivalent Sm(3) atoms. is represented by the CIF file [CIF]
data_Sm4MgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.882
_cell_length_b   9.882
_cell_length_c   9.882
_cell_angle_alpha   59.999
_cell_angle_beta   59.998
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   682.278
_cell_formula_units_Z   4
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  0.596  0.596  0.596  1.0
  Sm  Sm1  1  0.596  0.596  0.212  1.0
  Sm  Sm2  1  0.596  0.212  0.596  1.0
  Sm  Sm3  1  0.212  0.596  0.596  1.0
  Sm  Sm4  1  0.062  0.438  0.438  1.0
  Sm  Sm5  1  0.438  0.062  0.062  1.0
  Sm  Sm6  1  0.438  0.062  0.438  1.0
  Sm  Sm7  1  0.062  0.438  0.062  1.0
  Sm  Sm8  1  0.438  0.438  0.062  1.0
  Sm  Sm9  1  0.062  0.062  0.438  1.0
  Sm  Sm10  1  0.188  0.812  0.812  1.0
  Sm  Sm11  1  0.812  0.188  0.188  1.0
  Sm  Sm12  1  0.812  0.188  0.812  1.0
  Sm  Sm13  1  0.188  0.812  0.188  1.0
  Sm  Sm14  1  0.812  0.812  0.188  1.0
  Sm  Sm15  1  0.188  0.188  0.812  1.0
  Mg  Mg16  1  0.829  0.829  0.829  1.0
  Mg  Mg17  1  0.829  0.829  0.514  1.0
  Mg  Mg18  1  0.829  0.514  0.829  1.0
  Mg  Mg19  1  0.514  0.829  0.829  1.0
  Ir  Ir20  1  0.391  0.391  0.391  1.0
  Ir  Ir21  1  0.391  0.391  0.826  1.0
  Ir  Ir22  1  0.391  0.826  0.391  1.0
  Ir  Ir23  1  0.826  0.391  0.391  1.0
[/CIF]
.