The compound described by Yb5Al17(Fe2Si3)2 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 9-coordinate geometry to two equivalent Al(2), four equivalent Al(3), four equivalent Al(4), and one Si(2) atom. In the second Yb site, Yb(2) is bonded in a 8-coordinate geometry to eight equivalent Si(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to two equivalent Al(1), four equivalent Al(3), one Si(2), and two equivalent Si(1) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to two equivalent Fe(1), two equivalent Al(4), and four equivalent Al(3) atoms. In the second Al site, Al(2) is bonded to eight equivalent Yb(1) and four equivalent Al(4) atoms to form AlYb8Al4 cuboctahedra that share corners with eight equivalent Si(2)Yb2Al8Fe2 cuboctahedra and faces with two equivalent Al(2)Yb8Al4 cuboctahedra. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Yb(1), two equivalent Fe(1), one Al(4), two equivalent Al(1), two equivalent Al(3), one Si(1), and two equivalent Si(2) atoms. In the fourth Al site, Al(4) is bonded in a 9-coordinate geometry to four equivalent Yb(1), one Al(2), two equivalent Al(1), and two equivalent Al(3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to two equivalent Yb(2), two equivalent Fe(1), and two equivalent Al(3) atoms. In the second Si site, Si(2) is bonded to two equivalent Yb(1), two equivalent Fe(1), and eight equivalent Al(3) atoms to form SiYb2Al8Fe2 cuboctahedra that share corners with four equivalent Al(2)Yb8Al4 cuboctahedra and faces with two equivalent Si(2)Yb2Al8Fe2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb5Al17(Fe2Si3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.582
_cell_length_b   11.582
_cell_length_c   4.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   539.344
_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
  Yb  Yb0  1  0.258  0.500  0.000  1.0
  Yb  Yb1  1  0.742  0.500  0.000  1.0
  Yb  Yb2  1  0.500  0.742  0.000  1.0
  Yb  Yb3  1  0.500  0.258  0.000  1.0
  Yb  Yb4  1  0.000  0.000  0.000  1.0
  Al  Al5  1  0.203  0.203  0.000  1.0
  Al  Al6  1  0.797  0.797  0.000  1.0
  Al  Al7  1  0.203  0.797  0.000  1.0
  Al  Al8  1  0.797  0.203  0.000  1.0
  Al  Al9  1  0.500  0.500  0.500  1.0
  Al  Al10  1  0.112  0.372  0.500  1.0
  Al  Al11  1  0.888  0.628  0.500  1.0
  Al  Al12  1  0.112  0.628  0.500  1.0
  Al  Al13  1  0.888  0.372  0.500  1.0
  Al  Al14  1  0.372  0.888  0.500  1.0
  Al  Al15  1  0.628  0.112  0.500  1.0
  Al  Al16  1  0.372  0.112  0.500  1.0
  Al  Al17  1  0.628  0.888  0.500  1.0
  Al  Al18  1  0.329  0.329  0.500  1.0
  Al  Al19  1  0.671  0.671  0.500  1.0
  Al  Al20  1  0.329  0.671  0.500  1.0
  Al  Al21  1  0.671  0.329  0.500  1.0
  Fe  Fe22  1  0.296  0.000  0.000  1.0
  Fe  Fe23  1  0.704  0.000  0.000  1.0
  Fe  Fe24  1  0.000  0.704  0.000  1.0
  Fe  Fe25  1  0.000  0.296  0.000  1.0
  Si  Si26  1  0.180  0.000  0.500  1.0
  Si  Si27  1  0.820  0.000  0.500  1.0
  Si  Si28  1  0.000  0.820  0.500  1.0
  Si  Si29  1  0.000  0.180  0.500  1.0
  Si  Si30  1  0.000  0.500  0.000  1.0
  Si  Si31  1  0.500  0.000  0.000  1.0
[/CIF]
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The compound described by Yb5Al17(Fe2Si3)2 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 9-coordinate geometry to two equivalent Al(2), four equivalent Al(3), four equivalent Al(4), and one Si(2) atom. In the second Yb site, Yb(2) is bonded in a 8-coordinate geometry to eight equivalent Si(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to two equivalent Al(1), four equivalent Al(3), one Si(2), and two equivalent Si(1) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to two equivalent Fe(1), two equivalent Al(4), and four equivalent Al(3) atoms. In the second Al site, Al(2) is bonded to eight equivalent Yb(1) and four equivalent Al(4) atoms to form AlYb8Al4 cuboctahedra that share corners with eight equivalent Si(2)Yb2Al8Fe2 cuboctahedra and faces with two equivalent Al(2)Yb8Al4 cuboctahedra. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Yb(1), two equivalent Fe(1), one Al(4), two equivalent Al(1), two equivalent Al(3), one Si(1), and two equivalent Si(2) atoms. In the fourth Al site, Al(4) is bonded in a 9-coordinate geometry to four equivalent Yb(1), one Al(2), two equivalent Al(1), and two equivalent Al(3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to two equivalent Yb(2), two equivalent Fe(1), and two equivalent Al(3) atoms. In the second Si site, Si(2) is bonded to two equivalent Yb(1), two equivalent Fe(1), and eight equivalent Al(3) atoms to form SiYb2Al8Fe2 cuboctahedra that share corners with four equivalent Al(2)Yb8Al4 cuboctahedra and faces with two equivalent Si(2)Yb2Al8Fe2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb5Al17(Fe2Si3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.582
_cell_length_b   11.582
_cell_length_c   4.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   539.344
_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
  Yb  Yb0  1  0.258  0.500  0.000  1.0
  Yb  Yb1  1  0.742  0.500  0.000  1.0
  Yb  Yb2  1  0.500  0.742  0.000  1.0
  Yb  Yb3  1  0.500  0.258  0.000  1.0
  Yb  Yb4  1  0.000  0.000  0.000  1.0
  Al  Al5  1  0.203  0.203  0.000  1.0
  Al  Al6  1  0.797  0.797  0.000  1.0
  Al  Al7  1  0.203  0.797  0.000  1.0
  Al  Al8  1  0.797  0.203  0.000  1.0
  Al  Al9  1  0.500  0.500  0.500  1.0
  Al  Al10  1  0.112  0.372  0.500  1.0
  Al  Al11  1  0.888  0.628  0.500  1.0
  Al  Al12  1  0.112  0.628  0.500  1.0
  Al  Al13  1  0.888  0.372  0.500  1.0
  Al  Al14  1  0.372  0.888  0.500  1.0
  Al  Al15  1  0.628  0.112  0.500  1.0
  Al  Al16  1  0.372  0.112  0.500  1.0
  Al  Al17  1  0.628  0.888  0.500  1.0
  Al  Al18  1  0.329  0.329  0.500  1.0
  Al  Al19  1  0.671  0.671  0.500  1.0
  Al  Al20  1  0.329  0.671  0.500  1.0
  Al  Al21  1  0.671  0.329  0.500  1.0
  Fe  Fe22  1  0.296  0.000  0.000  1.0
  Fe  Fe23  1  0.704  0.000  0.000  1.0
  Fe  Fe24  1  0.000  0.704  0.000  1.0
  Fe  Fe25  1  0.000  0.296  0.000  1.0
  Si  Si26  1  0.180  0.000  0.500  1.0
  Si  Si27  1  0.820  0.000  0.500  1.0
  Si  Si28  1  0.000  0.820  0.500  1.0
  Si  Si29  1  0.000  0.180  0.500  1.0
  Si  Si30  1  0.000  0.500  0.000  1.0
  Si  Si31  1  0.500  0.000  0.000  1.0
[/CIF]
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