The compound described by SmB4(OsIr)2 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2 space group. Sm(1) is bonded in a 4-coordinate geometry to two equivalent B(2) and four equivalent B(1) atoms. Os(1) is bonded in a 4-coordinate geometry to one B(2) and four equivalent B(1) atoms. Ir(1) is bonded in a 4-coordinate geometry to one B(1) and three equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to two equivalent Sm(1), four equivalent Os(1), one Ir(1), and one B(2) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one Sm(1), one Os(1), three equivalent Ir(1), and one B(1) atom. is represented by the CIF card [CIF]
data_SmB4(IrOs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.009
_cell_length_b   7.611
_cell_length_c   7.611
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   232.264
_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  0.249  0.250  0.250  1.0
  Sm  Sm1  1  0.749  0.750  0.750  1.0
  B  B2  1  0.363  0.912  0.035  1.0
  B  B3  1  0.363  0.588  0.465  1.0
  B  B4  1  0.863  0.535  0.088  1.0
  B  B5  1  0.863  0.965  0.412  1.0
  B  B6  1  0.641  0.089  0.973  1.0
  B  B7  1  0.641  0.411  0.527  1.0
  B  B8  1  0.141  0.473  0.911  1.0
  B  B9  1  0.141  0.027  0.589  1.0
  Ir  Ir10  1  0.136  0.405  0.640  1.0
  Ir  Ir11  1  0.136  0.095  0.860  1.0
  Ir  Ir12  1  0.636  0.140  0.595  1.0
  Ir  Ir13  1  0.636  0.360  0.905  1.0
  Os  Os14  1  0.861  0.604  0.359  1.0
  Os  Os15  1  0.861  0.896  0.141  1.0
  Os  Os16  1  0.361  0.859  0.396  1.0
  Os  Os17  1  0.361  0.641  0.104  1.0
[/CIF]
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The compound described by SmB4(OsIr)2 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2 space group. Sm(1) is bonded in a 4-coordinate geometry to two equivalent B(2) and four equivalent B(1) atoms. Os(1) is bonded in a 4-coordinate geometry to one B(2) and four equivalent B(1) atoms. Ir(1) is bonded in a 4-coordinate geometry to one B(1) and three equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to two equivalent Sm(1), four equivalent Os(1), one Ir(1), and one B(2) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one Sm(1), one Os(1), three equivalent Ir(1), and one B(1) atom. is represented by the CIF card [CIF]
data_SmB4(IrOs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.009
_cell_length_b   7.611
_cell_length_c   7.611
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   232.264
_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  0.249  0.250  0.250  1.0
  Sm  Sm1  1  0.749  0.750  0.750  1.0
  B  B2  1  0.363  0.912  0.035  1.0
  B  B3  1  0.363  0.588  0.465  1.0
  B  B4  1  0.863  0.535  0.088  1.0
  B  B5  1  0.863  0.965  0.412  1.0
  B  B6  1  0.641  0.089  0.973  1.0
  B  B7  1  0.641  0.411  0.527  1.0
  B  B8  1  0.141  0.473  0.911  1.0
  B  B9  1  0.141  0.027  0.589  1.0
  Ir  Ir10  1  0.136  0.405  0.640  1.0
  Ir  Ir11  1  0.136  0.095  0.860  1.0
  Ir  Ir12  1  0.636  0.140  0.595  1.0
  Ir  Ir13  1  0.636  0.360  0.905  1.0
  Os  Os14  1  0.861  0.604  0.359  1.0
  Os  Os15  1  0.861  0.896  0.141  1.0
  Os  Os16  1  0.361  0.859  0.396  1.0
  Os  Os17  1  0.361  0.641  0.104  1.0
[/CIF]
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