The material structure described by Er2Fe14Si3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 18-coordinate geometry to six equivalent Fe(2) and twelve equivalent Fe(3) atoms. In the second Er site, Er(2) is bonded in a 20-coordinate geometry to two equivalent Fe(1), six equivalent Fe(2), six equivalent Fe(3), and six equivalent Si(1) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to one Er(2), one Fe(1), three equivalent Fe(3), six equivalent Fe(2), and three equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to one Er(1), one Er(2), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and two equivalent Si(1) atoms. In the third Fe site, Fe(3) is bonded to one Er(2), two equivalent Er(1), one Fe(1), two equivalent Fe(3), four equivalent Fe(2), and two equivalent Si(1) atoms to form distorted FeEr3Fe7Si2 cuboctahedra that share corners with five equivalent Si(1)Er2Fe10 cuboctahedra, corners with ten equivalent Fe(3)Er3Fe7Si2 cuboctahedra, edges with three equivalent Si(1)Er2Fe10 cuboctahedra, edges with five equivalent Fe(3)Er3Fe7Si2 cuboctahedra, faces with two equivalent Si(1)Er2Fe10 cuboctahedra, and faces with eight equivalent Fe(3)Er3Fe7Si2 cuboctahedra. Si(1) is bonded to two equivalent Er(2), two equivalent Fe(1), four equivalent Fe(2), and four equivalent Fe(3) atoms to form distorted SiEr2Fe10 cuboctahedra that share corners with four equivalent Si(1)Er2Fe10 cuboctahedra, corners with ten equivalent Fe(3)Er3Fe7Si2 cuboctahedra, edges with six equivalent Fe(3)Er3Fe7Si2 cuboctahedra, faces with four equivalent Fe(3)Er3Fe7Si2 cuboctahedra, and faces with six equivalent Si(1)Er2Fe10 cuboctahedra. is represented by the CIF file [CIF]
data_Er2Fe14Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.306
_cell_length_b   8.306
_cell_length_c   8.180
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   488.677
_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  0.000  0.000  0.250  1.0
  Er  Er1  1  0.000  0.000  0.750  1.0
  Er  Er2  1  0.333  0.667  0.750  1.0
  Er  Er3  1  0.667  0.333  0.250  1.0
  Fe  Fe4  1  0.333  0.667  0.390  1.0
  Fe  Fe5  1  0.667  0.333  0.610  1.0
  Fe  Fe6  1  0.667  0.333  0.890  1.0
  Fe  Fe7  1  0.333  0.667  0.110  1.0
  Fe  Fe8  1  0.330  0.358  0.250  1.0
  Fe  Fe9  1  0.642  0.972  0.250  1.0
  Fe  Fe10  1  0.028  0.670  0.250  1.0
  Fe  Fe11  1  0.642  0.670  0.250  1.0
  Fe  Fe12  1  0.028  0.358  0.250  1.0
  Fe  Fe13  1  0.330  0.972  0.250  1.0
  Fe  Fe14  1  0.670  0.642  0.750  1.0
  Fe  Fe15  1  0.358  0.028  0.750  1.0
  Fe  Fe16  1  0.972  0.330  0.750  1.0
  Fe  Fe17  1  0.358  0.330  0.750  1.0
  Fe  Fe18  1  0.972  0.642  0.750  1.0
  Fe  Fe19  1  0.670  0.028  0.750  1.0
  Fe  Fe20  1  0.168  0.832  0.513  1.0
  Fe  Fe21  1  0.168  0.336  0.513  1.0
  Fe  Fe22  1  0.664  0.832  0.513  1.0
  Fe  Fe23  1  0.832  0.168  0.487  1.0
  Fe  Fe24  1  0.832  0.664  0.487  1.0
  Fe  Fe25  1  0.336  0.168  0.487  1.0
  Fe  Fe26  1  0.832  0.168  0.013  1.0
  Fe  Fe27  1  0.832  0.664  0.013  1.0
  Fe  Fe28  1  0.336  0.168  0.013  1.0
  Fe  Fe29  1  0.168  0.832  0.987  1.0
  Fe  Fe30  1  0.168  0.336  0.987  1.0
  Fe  Fe31  1  0.664  0.832  0.987  1.0
  Si  Si32  1  0.500  0.500  0.500  1.0
  Si  Si33  1  0.500  0.000  0.500  1.0
  Si  Si34  1  0.000  0.500  0.500  1.0
  Si  Si35  1  0.500  0.500  0.000  1.0
  Si  Si36  1  0.500  0.000  0.000  1.0
  Si  Si37  1  0.000  0.500  0.000  1.0
[/CIF]
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The material structure described by Er2Fe14Si3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 18-coordinate geometry to six equivalent Fe(2) and twelve equivalent Fe(3) atoms. In the second Er site, Er(2) is bonded in a 20-coordinate geometry to two equivalent Fe(1), six equivalent Fe(2), six equivalent Fe(3), and six equivalent Si(1) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to one Er(2), one Fe(1), three equivalent Fe(3), six equivalent Fe(2), and three equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to one Er(1), one Er(2), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and two equivalent Si(1) atoms. In the third Fe site, Fe(3) is bonded to one Er(2), two equivalent Er(1), one Fe(1), two equivalent Fe(3), four equivalent Fe(2), and two equivalent Si(1) atoms to form distorted FeEr3Fe7Si2 cuboctahedra that share corners with five equivalent Si(1)Er2Fe10 cuboctahedra, corners with ten equivalent Fe(3)Er3Fe7Si2 cuboctahedra, edges with three equivalent Si(1)Er2Fe10 cuboctahedra, edges with five equivalent Fe(3)Er3Fe7Si2 cuboctahedra, faces with two equivalent Si(1)Er2Fe10 cuboctahedra, and faces with eight equivalent Fe(3)Er3Fe7Si2 cuboctahedra. Si(1) is bonded to two equivalent Er(2), two equivalent Fe(1), four equivalent Fe(2), and four equivalent Fe(3) atoms to form distorted SiEr2Fe10 cuboctahedra that share corners with four equivalent Si(1)Er2Fe10 cuboctahedra, corners with ten equivalent Fe(3)Er3Fe7Si2 cuboctahedra, edges with six equivalent Fe(3)Er3Fe7Si2 cuboctahedra, faces with four equivalent Fe(3)Er3Fe7Si2 cuboctahedra, and faces with six equivalent Si(1)Er2Fe10 cuboctahedra. is represented by the CIF file [CIF]
data_Er2Fe14Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.306
_cell_length_b   8.306
_cell_length_c   8.180
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   488.677
_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  0.000  0.000  0.250  1.0
  Er  Er1  1  0.000  0.000  0.750  1.0
  Er  Er2  1  0.333  0.667  0.750  1.0
  Er  Er3  1  0.667  0.333  0.250  1.0
  Fe  Fe4  1  0.333  0.667  0.390  1.0
  Fe  Fe5  1  0.667  0.333  0.610  1.0
  Fe  Fe6  1  0.667  0.333  0.890  1.0
  Fe  Fe7  1  0.333  0.667  0.110  1.0
  Fe  Fe8  1  0.330  0.358  0.250  1.0
  Fe  Fe9  1  0.642  0.972  0.250  1.0
  Fe  Fe10  1  0.028  0.670  0.250  1.0
  Fe  Fe11  1  0.642  0.670  0.250  1.0
  Fe  Fe12  1  0.028  0.358  0.250  1.0
  Fe  Fe13  1  0.330  0.972  0.250  1.0
  Fe  Fe14  1  0.670  0.642  0.750  1.0
  Fe  Fe15  1  0.358  0.028  0.750  1.0
  Fe  Fe16  1  0.972  0.330  0.750  1.0
  Fe  Fe17  1  0.358  0.330  0.750  1.0
  Fe  Fe18  1  0.972  0.642  0.750  1.0
  Fe  Fe19  1  0.670  0.028  0.750  1.0
  Fe  Fe20  1  0.168  0.832  0.513  1.0
  Fe  Fe21  1  0.168  0.336  0.513  1.0
  Fe  Fe22  1  0.664  0.832  0.513  1.0
  Fe  Fe23  1  0.832  0.168  0.487  1.0
  Fe  Fe24  1  0.832  0.664  0.487  1.0
  Fe  Fe25  1  0.336  0.168  0.487  1.0
  Fe  Fe26  1  0.832  0.168  0.013  1.0
  Fe  Fe27  1  0.832  0.664  0.013  1.0
  Fe  Fe28  1  0.336  0.168  0.013  1.0
  Fe  Fe29  1  0.168  0.832  0.987  1.0
  Fe  Fe30  1  0.168  0.336  0.987  1.0
  Fe  Fe31  1  0.664  0.832  0.987  1.0
  Si  Si32  1  0.500  0.500  0.500  1.0
  Si  Si33  1  0.500  0.000  0.500  1.0
  Si  Si34  1  0.000  0.500  0.500  1.0
  Si  Si35  1  0.500  0.500  0.000  1.0
  Si  Si36  1  0.500  0.000  0.000  1.0
  Si  Si37  1  0.000  0.500  0.000  1.0
[/CIF]
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