The material described by ErFe5Al7 crystallizes in the orthorhombic Imm2 space group. Er(1) is bonded in a 20-coordinate geometry to two equivalent Fe(2), eight equivalent Fe(1), one Al(1), one Al(2), two equivalent Al(3), two equivalent Al(4), and four equivalent Al(5) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent Er(1), one Fe(2), two equivalent Fe(1), one Al(1), one Al(2), one Al(4), two equivalent Al(3), and two equivalent Al(5) atoms. In the second Fe site, Fe(2) is bonded to two equivalent Er(1), four equivalent Fe(1), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(5) atoms to form distorted edge-sharing FeEr2Al6Fe4 cuboctahedra. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Er(1), four equivalent Fe(1), one Al(2), two equivalent Al(4), and two equivalent Al(5) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to one Er(1), two equivalent Fe(2), four equivalent Fe(1), one Al(1), and two equivalent Al(5) atoms. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to one Er(1), one Fe(2), four equivalent Fe(1), one Al(3), one Al(4), and two equivalent Al(5) atoms. In the fourth Al site, Al(4) is bonded in a 4-coordinate geometry to two equivalent Er(1), four equivalent Fe(1), two equivalent Al(1), two equivalent Al(3), and two equivalent Al(5) atoms. In the fifth Al site, Al(5) is bonded in a 12-coordinate geometry to two equivalent Er(1), one Fe(2), four equivalent Fe(1), one Al(1), one Al(2), one Al(4), and two equivalent Al(3) atoms. is represented by the CIF file [CIF]
data_ErAl7Fe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.607
_cell_length_b   6.607
_cell_length_c   6.607
_cell_angle_alpha   135.376
_cell_angle_beta   98.387
_cell_angle_gamma   98.187
_symmetry_Int_Tables_number   1
_cell_volume   187.448
_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  0.005  0.000  0.005  1.0
  Al  Al1  1  0.660  0.000  0.660  1.0
  Al  Al2  1  0.339  0.000  0.339  1.0
  Al  Al3  1  0.334  0.342  0.992  1.0
  Al  Al4  1  0.649  0.658  0.992  1.0
  Al  Al5  1  0.775  0.500  0.275  1.0
  Al  Al6  1  0.795  0.290  0.505  1.0
  Al  Al7  1  0.215  0.710  0.505  1.0
  Fe  Fe8  1  0.499  0.498  0.496  1.0
  Fe  Fe9  1  0.499  0.004  0.002  1.0
  Fe  Fe10  1  0.998  0.996  0.496  1.0
  Fe  Fe11  1  0.998  0.502  0.002  1.0
  Fe  Fe12  1  0.235  0.500  0.735  1.0
[/CIF]
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The material described by ErFe5Al7 crystallizes in the orthorhombic Imm2 space group. Er(1) is bonded in a 20-coordinate geometry to two equivalent Fe(2), eight equivalent Fe(1), one Al(1), one Al(2), two equivalent Al(3), two equivalent Al(4), and four equivalent Al(5) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent Er(1), one Fe(2), two equivalent Fe(1), one Al(1), one Al(2), one Al(4), two equivalent Al(3), and two equivalent Al(5) atoms. In the second Fe site, Fe(2) is bonded to two equivalent Er(1), four equivalent Fe(1), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(5) atoms to form distorted edge-sharing FeEr2Al6Fe4 cuboctahedra. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Er(1), four equivalent Fe(1), one Al(2), two equivalent Al(4), and two equivalent Al(5) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to one Er(1), two equivalent Fe(2), four equivalent Fe(1), one Al(1), and two equivalent Al(5) atoms. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to one Er(1), one Fe(2), four equivalent Fe(1), one Al(3), one Al(4), and two equivalent Al(5) atoms. In the fourth Al site, Al(4) is bonded in a 4-coordinate geometry to two equivalent Er(1), four equivalent Fe(1), two equivalent Al(1), two equivalent Al(3), and two equivalent Al(5) atoms. In the fifth Al site, Al(5) is bonded in a 12-coordinate geometry to two equivalent Er(1), one Fe(2), four equivalent Fe(1), one Al(1), one Al(2), one Al(4), and two equivalent Al(3) atoms. is represented by the CIF file [CIF]
data_ErAl7Fe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.607
_cell_length_b   6.607
_cell_length_c   6.607
_cell_angle_alpha   135.376
_cell_angle_beta   98.387
_cell_angle_gamma   98.187
_symmetry_Int_Tables_number   1
_cell_volume   187.448
_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  0.005  0.000  0.005  1.0
  Al  Al1  1  0.660  0.000  0.660  1.0
  Al  Al2  1  0.339  0.000  0.339  1.0
  Al  Al3  1  0.334  0.342  0.992  1.0
  Al  Al4  1  0.649  0.658  0.992  1.0
  Al  Al5  1  0.775  0.500  0.275  1.0
  Al  Al6  1  0.795  0.290  0.505  1.0
  Al  Al7  1  0.215  0.710  0.505  1.0
  Fe  Fe8  1  0.499  0.498  0.496  1.0
  Fe  Fe9  1  0.499  0.004  0.002  1.0
  Fe  Fe10  1  0.998  0.996  0.496  1.0
  Fe  Fe11  1  0.998  0.502  0.002  1.0
  Fe  Fe12  1  0.235  0.500  0.735  1.0
[/CIF]
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