The material described by Y2Fe3Si5 crystallizes in the tetragonal P4/mnc space group. Y(1) is bonded in a 13-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Si(2), three equivalent Si(3), and four equivalent Si(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to two equivalent Y(1), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to four equivalent Y(1), two equivalent Fe(2), two equivalent Si(1), and four equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(3) is bonded in a 9-coordinate geometry to three equivalent Y(1), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Si(1) atoms. In the second Si site, Si(1) is bonded in a 11-coordinate geometry to four equivalent Y(1), one Fe(2), two equivalent Fe(1), two equivalent Si(1), and two equivalent Si(3) atoms. In the third Si site, Si(2) is bonded in a 8-coordinate geometry to four equivalent Y(1) and four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Fe3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.309
_cell_length_b   10.309
_cell_length_c   5.463
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   580.591
_cell_formula_units_Z   4
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
  Y  Y0  1  0.570  0.736  0.500  1.0
  Y  Y1  1  0.430  0.264  0.500  1.0
  Y  Y2  1  0.070  0.764  0.000  1.0
  Y  Y3  1  0.930  0.236  0.000  1.0
  Y  Y4  1  0.264  0.570  0.500  1.0
  Y  Y5  1  0.736  0.430  0.500  1.0
  Y  Y6  1  0.236  0.070  0.000  1.0
  Y  Y7  1  0.764  0.930  0.000  1.0
  Fe  Fe8  1  0.877  0.855  0.500  1.0
  Fe  Fe9  1  0.123  0.145  0.500  1.0
  Fe  Fe10  1  0.377  0.645  0.000  1.0
  Fe  Fe11  1  0.623  0.355  0.000  1.0
  Fe  Fe12  1  0.145  0.877  0.500  1.0
  Fe  Fe13  1  0.855  0.123  0.500  1.0
  Fe  Fe14  1  0.355  0.377  0.000  1.0
  Fe  Fe15  1  0.645  0.623  0.000  1.0
  Fe  Fe16  1  0.500  0.000  0.250  1.0
  Fe  Fe17  1  0.000  0.500  0.750  1.0
  Fe  Fe18  1  0.000  0.500  0.250  1.0
  Fe  Fe19  1  0.500  0.000  0.750  1.0
  Si  Si20  1  0.677  0.177  0.250  1.0
  Si  Si21  1  0.323  0.823  0.250  1.0
  Si  Si22  1  0.177  0.323  0.750  1.0
  Si  Si23  1  0.823  0.677  0.750  1.0
  Si  Si24  1  0.823  0.677  0.250  1.0
  Si  Si25  1  0.177  0.323  0.250  1.0
  Si  Si26  1  0.677  0.177  0.750  1.0
  Si  Si27  1  0.323  0.823  0.750  1.0
  Si  Si28  1  0.500  0.500  0.227  1.0
  Si  Si29  1  0.000  0.000  0.727  1.0
  Si  Si30  1  0.500  0.500  0.773  1.0
  Si  Si31  1  0.000  0.000  0.273  1.0
  Si  Si32  1  0.679  0.979  0.500  1.0
  Si  Si33  1  0.321  0.021  0.500  1.0
  Si  Si34  1  0.179  0.521  0.000  1.0
  Si  Si35  1  0.821  0.479  0.000  1.0
  Si  Si36  1  0.021  0.679  0.500  1.0
  Si  Si37  1  0.979  0.321  0.500  1.0
  Si  Si38  1  0.479  0.179  0.000  1.0
  Si  Si39  1  0.521  0.821  0.000  1.0
[/CIF]
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The material described by Y2Fe3Si5 crystallizes in the tetragonal P4/mnc space group. Y(1) is bonded in a 13-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Si(2), three equivalent Si(3), and four equivalent Si(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to two equivalent Y(1), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to four equivalent Y(1), two equivalent Fe(2), two equivalent Si(1), and four equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(3) is bonded in a 9-coordinate geometry to three equivalent Y(1), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Si(1) atoms. In the second Si site, Si(1) is bonded in a 11-coordinate geometry to four equivalent Y(1), one Fe(2), two equivalent Fe(1), two equivalent Si(1), and two equivalent Si(3) atoms. In the third Si site, Si(2) is bonded in a 8-coordinate geometry to four equivalent Y(1) and four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Fe3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.309
_cell_length_b   10.309
_cell_length_c   5.463
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   580.591
_cell_formula_units_Z   4
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
  Y  Y0  1  0.570  0.736  0.500  1.0
  Y  Y1  1  0.430  0.264  0.500  1.0
  Y  Y2  1  0.070  0.764  0.000  1.0
  Y  Y3  1  0.930  0.236  0.000  1.0
  Y  Y4  1  0.264  0.570  0.500  1.0
  Y  Y5  1  0.736  0.430  0.500  1.0
  Y  Y6  1  0.236  0.070  0.000  1.0
  Y  Y7  1  0.764  0.930  0.000  1.0
  Fe  Fe8  1  0.877  0.855  0.500  1.0
  Fe  Fe9  1  0.123  0.145  0.500  1.0
  Fe  Fe10  1  0.377  0.645  0.000  1.0
  Fe  Fe11  1  0.623  0.355  0.000  1.0
  Fe  Fe12  1  0.145  0.877  0.500  1.0
  Fe  Fe13  1  0.855  0.123  0.500  1.0
  Fe  Fe14  1  0.355  0.377  0.000  1.0
  Fe  Fe15  1  0.645  0.623  0.000  1.0
  Fe  Fe16  1  0.500  0.000  0.250  1.0
  Fe  Fe17  1  0.000  0.500  0.750  1.0
  Fe  Fe18  1  0.000  0.500  0.250  1.0
  Fe  Fe19  1  0.500  0.000  0.750  1.0
  Si  Si20  1  0.677  0.177  0.250  1.0
  Si  Si21  1  0.323  0.823  0.250  1.0
  Si  Si22  1  0.177  0.323  0.750  1.0
  Si  Si23  1  0.823  0.677  0.750  1.0
  Si  Si24  1  0.823  0.677  0.250  1.0
  Si  Si25  1  0.177  0.323  0.250  1.0
  Si  Si26  1  0.677  0.177  0.750  1.0
  Si  Si27  1  0.323  0.823  0.750  1.0
  Si  Si28  1  0.500  0.500  0.227  1.0
  Si  Si29  1  0.000  0.000  0.727  1.0
  Si  Si30  1  0.500  0.500  0.773  1.0
  Si  Si31  1  0.000  0.000  0.273  1.0
  Si  Si32  1  0.679  0.979  0.500  1.0
  Si  Si33  1  0.321  0.021  0.500  1.0
  Si  Si34  1  0.179  0.521  0.000  1.0
  Si  Si35  1  0.821  0.479  0.000  1.0
  Si  Si36  1  0.021  0.679  0.500  1.0
  Si  Si37  1  0.979  0.321  0.500  1.0
  Si  Si38  1  0.479  0.179  0.000  1.0
  Si  Si39  1  0.521  0.821  0.000  1.0
[/CIF]
.