The material structure described by Er2Fe4Si9 crystallizes in the trigonal P-3m1 space group. Er(1) is bonded in a 6-coordinate geometry to three equivalent Fe(2), one Si(1), one Si(2), three equivalent Si(3), and three equivalent Si(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 7-coordinate geometry to three equivalent Si(3), three equivalent Si(5), and four equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a 10-coordinate geometry to three equivalent Er(1), three equivalent Si(4), and four equivalent Si(2) atoms. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to one Er(1), four equivalent Fe(1), three equivalent Si(3), and three equivalent Si(5) atoms. In the second Si site, Si(2) is bonded in a 11-coordinate geometry to one Er(1), four equivalent Fe(2), three equivalent Si(2), and three equivalent Si(4) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to three equivalent Er(1), three equivalent Fe(1), one Si(5), and three equivalent Si(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to three equivalent Er(1), three equivalent Fe(2), and three equivalent Si(2) atoms. In the fifth Si site, Si(5) is bonded in a 14-coordinate geometry to six equivalent Fe(1), two equivalent Si(3), and six equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Er2Fe4Si9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.937
_cell_length_b   3.937
_cell_length_c   15.952
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   214.116
_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  0.667  0.333  0.241  1.0
  Er  Er1  1  0.333  0.667  0.759  1.0
  Fe  Fe2  1  0.667  0.333  0.590  1.0
  Fe  Fe3  1  0.333  0.667  0.410  1.0
  Fe  Fe4  1  0.333  0.667  0.102  1.0
  Fe  Fe5  1  0.667  0.333  0.898  1.0
  Si  Si6  1  0.667  0.333  0.435  1.0
  Si  Si7  1  0.333  0.667  0.565  1.0
  Si  Si8  1  0.333  0.667  0.957  1.0
  Si  Si9  1  0.667  0.333  0.043  1.0
  Si  Si10  1  0.000  0.000  0.651  1.0
  Si  Si11  1  0.000  0.000  0.349  1.0
  Si  Si12  1  0.000  0.000  0.128  1.0
  Si  Si13  1  0.000  0.000  0.872  1.0
  Si  Si14  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by Er2Fe4Si9 crystallizes in the trigonal P-3m1 space group. Er(1) is bonded in a 6-coordinate geometry to three equivalent Fe(2), one Si(1), one Si(2), three equivalent Si(3), and three equivalent Si(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 7-coordinate geometry to three equivalent Si(3), three equivalent Si(5), and four equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a 10-coordinate geometry to three equivalent Er(1), three equivalent Si(4), and four equivalent Si(2) atoms. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to one Er(1), four equivalent Fe(1), three equivalent Si(3), and three equivalent Si(5) atoms. In the second Si site, Si(2) is bonded in a 11-coordinate geometry to one Er(1), four equivalent Fe(2), three equivalent Si(2), and three equivalent Si(4) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to three equivalent Er(1), three equivalent Fe(1), one Si(5), and three equivalent Si(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to three equivalent Er(1), three equivalent Fe(2), and three equivalent Si(2) atoms. In the fifth Si site, Si(5) is bonded in a 14-coordinate geometry to six equivalent Fe(1), two equivalent Si(3), and six equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Er2Fe4Si9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.937
_cell_length_b   3.937
_cell_length_c   15.952
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   214.116
_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  0.667  0.333  0.241  1.0
  Er  Er1  1  0.333  0.667  0.759  1.0
  Fe  Fe2  1  0.667  0.333  0.590  1.0
  Fe  Fe3  1  0.333  0.667  0.410  1.0
  Fe  Fe4  1  0.333  0.667  0.102  1.0
  Fe  Fe5  1  0.667  0.333  0.898  1.0
  Si  Si6  1  0.667  0.333  0.435  1.0
  Si  Si7  1  0.333  0.667  0.565  1.0
  Si  Si8  1  0.333  0.667  0.957  1.0
  Si  Si9  1  0.667  0.333  0.043  1.0
  Si  Si10  1  0.000  0.000  0.651  1.0
  Si  Si11  1  0.000  0.000  0.349  1.0
  Si  Si12  1  0.000  0.000  0.128  1.0
  Si  Si13  1  0.000  0.000  0.872  1.0
  Si  Si14  1  0.000  0.000  0.500  1.0
[/CIF]
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