The crystal structure described by Er2FeSi4 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 10-coordinate geometry to two equivalent Si(1), two equivalent Si(3), two equivalent Si(4), and four equivalent Si(2) atoms. In the second Er site, Er(2) is bonded in a 14-coordinate geometry to four equivalent Fe(1), two equivalent Si(2), two equivalent Si(3), two equivalent Si(4), and four equivalent Si(1) atoms. Fe(1) is bonded in a 5-coordinate geometry to four equivalent Er(2), one Si(1), two equivalent Si(3), and two equivalent Si(4) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Er(1), four equivalent Er(2), one Fe(1), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Er(2), four equivalent Er(1), and two equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 6-coordinate geometry to two equivalent Er(1), two equivalent Er(2), and two equivalent Fe(1) atoms. In the fourth Si site, Si(4) is bonded in a 6-coordinate geometry to two equivalent Er(1), two equivalent Er(2), and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er2FeSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.972
_cell_length_b   4.081
_cell_length_c   7.771
_cell_angle_alpha   74.777
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.534
_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  0.250  0.897  0.206  1.0
  Er  Er1  1  0.750  0.100  0.800  1.0
  Fe  Fe2  1  0.250  0.694  0.613  1.0
  Si  Si3  1  0.250  0.543  0.914  1.0
  Si  Si4  1  0.750  0.437  0.126  1.0
  Si  Si5  1  0.250  0.256  0.487  1.0
  Si  Si6  1  0.750  0.757  0.486  1.0
[/CIF]
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The crystal structure described by Er2FeSi4 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 10-coordinate geometry to two equivalent Si(1), two equivalent Si(3), two equivalent Si(4), and four equivalent Si(2) atoms. In the second Er site, Er(2) is bonded in a 14-coordinate geometry to four equivalent Fe(1), two equivalent Si(2), two equivalent Si(3), two equivalent Si(4), and four equivalent Si(1) atoms. Fe(1) is bonded in a 5-coordinate geometry to four equivalent Er(2), one Si(1), two equivalent Si(3), and two equivalent Si(4) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Er(1), four equivalent Er(2), one Fe(1), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Er(2), four equivalent Er(1), and two equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 6-coordinate geometry to two equivalent Er(1), two equivalent Er(2), and two equivalent Fe(1) atoms. In the fourth Si site, Si(4) is bonded in a 6-coordinate geometry to two equivalent Er(1), two equivalent Er(2), and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er2FeSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.972
_cell_length_b   4.081
_cell_length_c   7.771
_cell_angle_alpha   74.777
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.534
_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  0.250  0.897  0.206  1.0
  Er  Er1  1  0.750  0.100  0.800  1.0
  Fe  Fe2  1  0.250  0.694  0.613  1.0
  Si  Si3  1  0.250  0.543  0.914  1.0
  Si  Si4  1  0.750  0.437  0.126  1.0
  Si  Si5  1  0.250  0.256  0.487  1.0
  Si  Si6  1  0.750  0.757  0.486  1.0
[/CIF]
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