The material structure described by Sm2(IrGe)3 crystallizes in the tetragonal P4/mmm space group. Sm(1) is bonded in a 6-coordinate geometry to four equivalent Sm(1), one Ir(1), and one Ge(1) atom. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted linear geometry to one Sm(1) and one Ge(2) atom. In the second Ir site, Ir(2) is bonded in a distorted linear geometry to two equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Sm(1), one Ir(2), and four equivalent Ge(1) atoms to form a mixture of distorted edge and corner-sharing GeSmGe4Ir octahedra. The corner-sharing octahedra are not tilted. In the second Ge site, Ge(2) is bonded in a distorted linear geometry to two equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_Sm2(GeIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.841
_cell_length_b   2.841
_cell_length_c   21.138
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   170.622
_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  0.500  0.500  0.762  1.0
  Sm  Sm1  1  0.500  0.500  0.238  1.0
  Ge  Ge2  1  0.500  0.500  0.387  1.0
  Ge  Ge3  1  0.500  0.500  0.613  1.0
  Ge  Ge4  1  0.500  0.500  0.000  1.0
  Ir  Ir5  1  0.500  0.500  0.113  1.0
  Ir  Ir6  1  0.500  0.500  0.887  1.0
  Ir  Ir7  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by Sm2(IrGe)3 crystallizes in the tetragonal P4/mmm space group. Sm(1) is bonded in a 6-coordinate geometry to four equivalent Sm(1), one Ir(1), and one Ge(1) atom. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted linear geometry to one Sm(1) and one Ge(2) atom. In the second Ir site, Ir(2) is bonded in a distorted linear geometry to two equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Sm(1), one Ir(2), and four equivalent Ge(1) atoms to form a mixture of distorted edge and corner-sharing GeSmGe4Ir octahedra. The corner-sharing octahedra are not tilted. In the second Ge site, Ge(2) is bonded in a distorted linear geometry to two equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_Sm2(GeIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.841
_cell_length_b   2.841
_cell_length_c   21.138
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   170.622
_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  0.500  0.500  0.762  1.0
  Sm  Sm1  1  0.500  0.500  0.238  1.0
  Ge  Ge2  1  0.500  0.500  0.387  1.0
  Ge  Ge3  1  0.500  0.500  0.613  1.0
  Ge  Ge4  1  0.500  0.500  0.000  1.0
  Ir  Ir5  1  0.500  0.500  0.113  1.0
  Ir  Ir6  1  0.500  0.500  0.887  1.0
  Ir  Ir7  1  0.500  0.500  0.500  1.0
[/CIF]
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