The structure described by Er(FeB)2 crystallizes in the tetragonal I4/mmm space group. Er(1) is bonded in a 16-coordinate geometry to eight equivalent Fe(1) and eight equivalent B(1) atoms. Fe(1) is bonded to four equivalent Er(1) and four equivalent B(1) atoms to form a mixture of distorted face, corner, and edge-sharing FeEr4B4 tetrahedra. B(1) is bonded in a 9-coordinate geometry to four equivalent Er(1), four equivalent Fe(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Er(FeB)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.458
_cell_length_b   3.458
_cell_length_c   5.331
_cell_angle_alpha   108.927
_cell_angle_beta   108.927
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   56.650
_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
  Er  Er0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.250  0.750  0.500  1.0
  Fe  Fe2  1  0.750  0.250  0.500  1.0
  B  B3  1  0.613  0.613  0.227  1.0
  B  B4  1  0.387  0.387  0.773  1.0
[/CIF]
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The structure described by Er(FeB)2 crystallizes in the tetragonal I4/mmm space group. Er(1) is bonded in a 16-coordinate geometry to eight equivalent Fe(1) and eight equivalent B(1) atoms. Fe(1) is bonded to four equivalent Er(1) and four equivalent B(1) atoms to form a mixture of distorted face, corner, and edge-sharing FeEr4B4 tetrahedra. B(1) is bonded in a 9-coordinate geometry to four equivalent Er(1), four equivalent Fe(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Er(FeB)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.458
_cell_length_b   3.458
_cell_length_c   5.331
_cell_angle_alpha   108.927
_cell_angle_beta   108.927
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   56.650
_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
  Er  Er0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.250  0.750  0.500  1.0
  Fe  Fe2  1  0.750  0.250  0.500  1.0
  B  B3  1  0.613  0.613  0.227  1.0
  B  B4  1  0.387  0.387  0.773  1.0
[/CIF]
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