The compound described by Er3FeSi3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1), one Si(1), two equivalent Si(2), and three equivalent Si(3) atoms. In the second Er site, Er(2) is bonded in a 10-coordinate geometry to four equivalent Fe(1), two equivalent Si(3), and five equivalent Si(1) atoms. In the third Er site, Er(3) is bonded in a 7-coordinate geometry to two equivalent Si(3) and five equivalent Si(2) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Er(1), four equivalent Er(2), one Si(3), and three equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one Er(1), five equivalent Er(2), three equivalent Fe(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Er(1), five equivalent Er(3), one Si(2), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Er(2), two equivalent Er(3), three equivalent Er(1), one Fe(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Er3FeSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.112
_cell_length_b   5.573
_cell_length_c   12.612
_cell_angle_alpha   85.082
_cell_angle_beta   80.617
_cell_angle_gamma   68.350
_symmetry_Int_Tables_number   1
_cell_volume   264.947
_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  0.749  0.732  0.770  1.0
  Er  Er1  1  0.251  0.268  0.230  1.0
  Er  Er2  1  0.525  0.330  0.620  1.0
  Er  Er3  1  0.475  0.670  0.380  1.0
  Er  Er4  1  0.400  0.282  0.919  1.0
  Er  Er5  1  0.600  0.718  0.081  1.0
  Fe  Fe6  1  0.753  0.078  0.416  1.0
  Fe  Fe7  1  0.247  0.922  0.584  1.0
  Si  Si8  1  0.146  0.252  0.456  1.0
  Si  Si9  1  0.854  0.748  0.544  1.0
  Si  Si10  1  0.115  0.846  0.924  1.0
  Si  Si11  1  0.885  0.154  0.076  1.0
  Si  Si12  1  0.056  0.131  0.757  1.0
  Si  Si13  1  0.944  0.869  0.243  1.0
[/CIF]
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The compound described by Er3FeSi3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1), one Si(1), two equivalent Si(2), and three equivalent Si(3) atoms. In the second Er site, Er(2) is bonded in a 10-coordinate geometry to four equivalent Fe(1), two equivalent Si(3), and five equivalent Si(1) atoms. In the third Er site, Er(3) is bonded in a 7-coordinate geometry to two equivalent Si(3) and five equivalent Si(2) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Er(1), four equivalent Er(2), one Si(3), and three equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one Er(1), five equivalent Er(2), three equivalent Fe(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Er(1), five equivalent Er(3), one Si(2), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Er(2), two equivalent Er(3), three equivalent Er(1), one Fe(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Er3FeSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.112
_cell_length_b   5.573
_cell_length_c   12.612
_cell_angle_alpha   85.082
_cell_angle_beta   80.617
_cell_angle_gamma   68.350
_symmetry_Int_Tables_number   1
_cell_volume   264.947
_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  0.749  0.732  0.770  1.0
  Er  Er1  1  0.251  0.268  0.230  1.0
  Er  Er2  1  0.525  0.330  0.620  1.0
  Er  Er3  1  0.475  0.670  0.380  1.0
  Er  Er4  1  0.400  0.282  0.919  1.0
  Er  Er5  1  0.600  0.718  0.081  1.0
  Fe  Fe6  1  0.753  0.078  0.416  1.0
  Fe  Fe7  1  0.247  0.922  0.584  1.0
  Si  Si8  1  0.146  0.252  0.456  1.0
  Si  Si9  1  0.854  0.748  0.544  1.0
  Si  Si10  1  0.115  0.846  0.924  1.0
  Si  Si11  1  0.885  0.154  0.076  1.0
  Si  Si12  1  0.056  0.131  0.757  1.0
  Si  Si13  1  0.944  0.869  0.243  1.0
[/CIF]
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