The compound described by ErB4(IrRh)2 crystallizes in the tetragonal P4_2mc space group. Er(1) is bonded in a 24-coordinate geometry to six equivalent Ir(1), six equivalent Rh(1), six equivalent B(1), and six equivalent B(2) atoms. Ir(1) is bonded in a 5-coordinate geometry to three equivalent Er(1), two equivalent B(2), and three equivalent B(1) atoms. Rh(1) is bonded in a 5-coordinate geometry to three equivalent Er(1), two equivalent 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 6-coordinate geometry to three equivalent Er(1), three equivalent Ir(1), two equivalent Rh(1), and one B(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Er(1), two equivalent Ir(1), three equivalent Rh(1), and one B(2) atom. is represented by the CIF card [CIF]
data_ErB4(IrRh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.374
_cell_length_b   5.374
_cell_length_c   7.451
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.149
_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
  Er  Er0  1  0.500  0.000  0.248  1.0
  Er  Er1  1  0.000  0.500  0.748  1.0
  B  B2  1  0.329  0.500  0.404  1.0
  B  B3  1  0.671  0.500  0.404  1.0
  B  B4  1  0.500  0.329  0.904  1.0
  B  B5  1  0.500  0.671  0.904  1.0
  B  B6  1  0.170  0.000  0.598  1.0
  B  B7  1  0.830  0.000  0.598  1.0
  B  B8  1  0.000  0.170  0.098  1.0
  B  B9  1  0.000  0.830  0.098  1.0
  Ir  Ir10  1  0.752  0.500  0.105  1.0
  Ir  Ir11  1  0.248  0.500  0.105  1.0
  Ir  Ir12  1  0.500  0.752  0.605  1.0
  Ir  Ir13  1  0.500  0.248  0.605  1.0
  Rh  Rh14  1  0.749  0.000  0.894  1.0
  Rh  Rh15  1  0.251  0.000  0.894  1.0
  Rh  Rh16  1  0.000  0.749  0.394  1.0
  Rh  Rh17  1  0.000  0.251  0.394  1.0
[/CIF]
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The compound described by ErB4(IrRh)2 crystallizes in the tetragonal P4_2mc space group. Er(1) is bonded in a 24-coordinate geometry to six equivalent Ir(1), six equivalent Rh(1), six equivalent B(1), and six equivalent B(2) atoms. Ir(1) is bonded in a 5-coordinate geometry to three equivalent Er(1), two equivalent B(2), and three equivalent B(1) atoms. Rh(1) is bonded in a 5-coordinate geometry to three equivalent Er(1), two equivalent 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 6-coordinate geometry to three equivalent Er(1), three equivalent Ir(1), two equivalent Rh(1), and one B(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Er(1), two equivalent Ir(1), three equivalent Rh(1), and one B(2) atom. is represented by the CIF card [CIF]
data_ErB4(IrRh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.374
_cell_length_b   5.374
_cell_length_c   7.451
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.149
_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
  Er  Er0  1  0.500  0.000  0.248  1.0
  Er  Er1  1  0.000  0.500  0.748  1.0
  B  B2  1  0.329  0.500  0.404  1.0
  B  B3  1  0.671  0.500  0.404  1.0
  B  B4  1  0.500  0.329  0.904  1.0
  B  B5  1  0.500  0.671  0.904  1.0
  B  B6  1  0.170  0.000  0.598  1.0
  B  B7  1  0.830  0.000  0.598  1.0
  B  B8  1  0.000  0.170  0.098  1.0
  B  B9  1  0.000  0.830  0.098  1.0
  Ir  Ir10  1  0.752  0.500  0.105  1.0
  Ir  Ir11  1  0.248  0.500  0.105  1.0
  Ir  Ir12  1  0.500  0.752  0.605  1.0
  Ir  Ir13  1  0.500  0.248  0.605  1.0
  Rh  Rh14  1  0.749  0.000  0.894  1.0
  Rh  Rh15  1  0.251  0.000  0.894  1.0
  Rh  Rh16  1  0.000  0.749  0.394  1.0
  Rh  Rh17  1  0.000  0.251  0.394  1.0
[/CIF]
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