The material described by Sm5Ir3 crystallizes in the tetragonal P4/ncc space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 5-coordinate geometry to two equivalent Ir(2) and three equivalent Ir(1) atoms. In the second Sm site, Sm(2) is bonded to four equivalent Ir(1) atoms to form edge-sharing SmIr4 tetrahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Sm(2) and six equivalent Sm(1) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to eight equivalent Sm(1) atoms. is represented by the CIF file [CIF]
data_Sm5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.481
_cell_length_b   11.077
_cell_length_c   11.077
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   795.248
_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  0.386  0.840  0.542  1.0
  Sm  Sm1  1  0.886  0.660  0.542  1.0
  Sm  Sm2  1  0.886  0.840  0.958  1.0
  Sm  Sm3  1  0.386  0.660  0.958  1.0
  Sm  Sm4  1  0.886  0.542  0.840  1.0
  Sm  Sm5  1  0.386  0.958  0.840  1.0
  Sm  Sm6  1  0.386  0.542  0.660  1.0
  Sm  Sm7  1  0.886  0.958  0.660  1.0
  Sm  Sm8  1  0.614  0.160  0.458  1.0
  Sm  Sm9  1  0.114  0.340  0.458  1.0
  Sm  Sm10  1  0.114  0.160  0.042  1.0
  Sm  Sm11  1  0.614  0.340  0.042  1.0
  Sm  Sm12  1  0.114  0.458  0.160  1.0
  Sm  Sm13  1  0.614  0.042  0.160  1.0
  Sm  Sm14  1  0.614  0.458  0.340  1.0
  Sm  Sm15  1  0.114  0.042  0.340  1.0
  Sm  Sm16  1  0.500  0.750  0.250  1.0
  Sm  Sm17  1  0.000  0.750  0.250  1.0
  Sm  Sm18  1  0.000  0.250  0.750  1.0
  Sm  Sm19  1  0.500  0.250  0.750  1.0
  Ir  Ir20  1  0.250  0.904  0.096  1.0
  Ir  Ir21  1  0.750  0.596  0.096  1.0
  Ir  Ir22  1  0.750  0.904  0.404  1.0
  Ir  Ir23  1  0.250  0.596  0.404  1.0
  Ir  Ir24  1  0.750  0.096  0.904  1.0
  Ir  Ir25  1  0.250  0.404  0.904  1.0
  Ir  Ir26  1  0.250  0.096  0.596  1.0
  Ir  Ir27  1  0.750  0.404  0.596  1.0
  Ir  Ir28  1  0.128  0.750  0.750  1.0
  Ir  Ir29  1  0.628  0.750  0.750  1.0
  Ir  Ir30  1  0.872  0.250  0.250  1.0
  Ir  Ir31  1  0.372  0.250  0.250  1.0
[/CIF]
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The material described by Sm5Ir3 crystallizes in the tetragonal P4/ncc space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 5-coordinate geometry to two equivalent Ir(2) and three equivalent Ir(1) atoms. In the second Sm site, Sm(2) is bonded to four equivalent Ir(1) atoms to form edge-sharing SmIr4 tetrahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Sm(2) and six equivalent Sm(1) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to eight equivalent Sm(1) atoms. is represented by the CIF file [CIF]
data_Sm5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.481
_cell_length_b   11.077
_cell_length_c   11.077
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   795.248
_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  0.386  0.840  0.542  1.0
  Sm  Sm1  1  0.886  0.660  0.542  1.0
  Sm  Sm2  1  0.886  0.840  0.958  1.0
  Sm  Sm3  1  0.386  0.660  0.958  1.0
  Sm  Sm4  1  0.886  0.542  0.840  1.0
  Sm  Sm5  1  0.386  0.958  0.840  1.0
  Sm  Sm6  1  0.386  0.542  0.660  1.0
  Sm  Sm7  1  0.886  0.958  0.660  1.0
  Sm  Sm8  1  0.614  0.160  0.458  1.0
  Sm  Sm9  1  0.114  0.340  0.458  1.0
  Sm  Sm10  1  0.114  0.160  0.042  1.0
  Sm  Sm11  1  0.614  0.340  0.042  1.0
  Sm  Sm12  1  0.114  0.458  0.160  1.0
  Sm  Sm13  1  0.614  0.042  0.160  1.0
  Sm  Sm14  1  0.614  0.458  0.340  1.0
  Sm  Sm15  1  0.114  0.042  0.340  1.0
  Sm  Sm16  1  0.500  0.750  0.250  1.0
  Sm  Sm17  1  0.000  0.750  0.250  1.0
  Sm  Sm18  1  0.000  0.250  0.750  1.0
  Sm  Sm19  1  0.500  0.250  0.750  1.0
  Ir  Ir20  1  0.250  0.904  0.096  1.0
  Ir  Ir21  1  0.750  0.596  0.096  1.0
  Ir  Ir22  1  0.750  0.904  0.404  1.0
  Ir  Ir23  1  0.250  0.596  0.404  1.0
  Ir  Ir24  1  0.750  0.096  0.904  1.0
  Ir  Ir25  1  0.250  0.404  0.904  1.0
  Ir  Ir26  1  0.250  0.096  0.596  1.0
  Ir  Ir27  1  0.750  0.404  0.596  1.0
  Ir  Ir28  1  0.128  0.750  0.750  1.0
  Ir  Ir29  1  0.628  0.750  0.750  1.0
  Ir  Ir30  1  0.872  0.250  0.250  1.0
  Ir  Ir31  1  0.372  0.250  0.250  1.0
[/CIF]
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