The structure described by Mg5Y5Al12(Fe2Si3)2 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Fe(1), two equivalent Al(2), four equivalent Al(1), and four equivalent Si(1) atoms. In the second Mg site, Mg(2) is bonded in a square co-planar geometry to four equivalent Al(2) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 9-coordinate geometry to four equivalent Al(1), four equivalent Al(2), and one Si(2) atom. In the second Y site, Y(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Si(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to two equivalent Mg(1), four equivalent Al(1), one Si(2), and two equivalent Si(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Y(1), two equivalent Fe(1), one Al(2), two equivalent Al(1), one Si(1), and two equivalent Si(2) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to one Mg(2), two equivalent Mg(1), four equivalent Y(1), and two equivalent Al(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1), two equivalent Y(2), two equivalent Fe(1), and two equivalent Al(1) atoms. In the second Si site, Si(2) is bonded to two equivalent Y(1), two equivalent Fe(1), and eight equivalent Al(1) atoms to form face-sharing SiY2Al8Fe2 cuboctahedra. is represented by the CIF card [CIF]
data_Y5Mg5Al12(Fe2Si3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.911
_cell_length_b   11.911
_cell_length_c   3.999
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   567.308
_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
  Y  Y0  1  0.252  0.500  0.000  1.0
  Y  Y1  1  0.748  0.500  0.000  1.0
  Y  Y2  1  0.500  0.748  0.000  1.0
  Y  Y3  1  0.500  0.252  0.000  1.0
  Y  Y4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.202  0.202  0.000  1.0
  Mg  Mg6  1  0.798  0.798  0.000  1.0
  Mg  Mg7  1  0.202  0.798  0.000  1.0
  Mg  Mg8  1  0.798  0.202  0.000  1.0
  Mg  Mg9  1  0.500  0.500  0.500  1.0
  Al  Al10  1  0.112  0.373  0.500  1.0
  Al  Al11  1  0.888  0.627  0.500  1.0
  Al  Al12  1  0.112  0.627  0.500  1.0
  Al  Al13  1  0.888  0.373  0.500  1.0
  Al  Al14  1  0.373  0.888  0.500  1.0
  Al  Al15  1  0.627  0.112  0.500  1.0
  Al  Al16  1  0.373  0.112  0.500  1.0
  Al  Al17  1  0.627  0.888  0.500  1.0
  Al  Al18  1  0.332  0.332  0.500  1.0
  Al  Al19  1  0.668  0.668  0.500  1.0
  Al  Al20  1  0.332  0.668  0.500  1.0
  Al  Al21  1  0.668  0.332  0.500  1.0
  Fe  Fe22  1  0.306  0.000  0.000  1.0
  Fe  Fe23  1  0.694  0.000  0.000  1.0
  Fe  Fe24  1  0.000  0.694  0.000  1.0
  Fe  Fe25  1  0.000  0.306  0.000  1.0
  Si  Si26  1  0.189  0.000  0.500  1.0
  Si  Si27  1  0.811  0.000  0.500  1.0
  Si  Si28  1  0.000  0.811  0.500  1.0
  Si  Si29  1  0.000  0.189  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 structure described by Mg5Y5Al12(Fe2Si3)2 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Fe(1), two equivalent Al(2), four equivalent Al(1), and four equivalent Si(1) atoms. In the second Mg site, Mg(2) is bonded in a square co-planar geometry to four equivalent Al(2) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 9-coordinate geometry to four equivalent Al(1), four equivalent Al(2), and one Si(2) atom. In the second Y site, Y(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Si(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to two equivalent Mg(1), four equivalent Al(1), one Si(2), and two equivalent Si(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Y(1), two equivalent Fe(1), one Al(2), two equivalent Al(1), one Si(1), and two equivalent Si(2) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to one Mg(2), two equivalent Mg(1), four equivalent Y(1), and two equivalent Al(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1), two equivalent Y(2), two equivalent Fe(1), and two equivalent Al(1) atoms. In the second Si site, Si(2) is bonded to two equivalent Y(1), two equivalent Fe(1), and eight equivalent Al(1) atoms to form face-sharing SiY2Al8Fe2 cuboctahedra. is represented by the CIF card [CIF]
data_Y5Mg5Al12(Fe2Si3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.911
_cell_length_b   11.911
_cell_length_c   3.999
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   567.308
_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
  Y  Y0  1  0.252  0.500  0.000  1.0
  Y  Y1  1  0.748  0.500  0.000  1.0
  Y  Y2  1  0.500  0.748  0.000  1.0
  Y  Y3  1  0.500  0.252  0.000  1.0
  Y  Y4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.202  0.202  0.000  1.0
  Mg  Mg6  1  0.798  0.798  0.000  1.0
  Mg  Mg7  1  0.202  0.798  0.000  1.0
  Mg  Mg8  1  0.798  0.202  0.000  1.0
  Mg  Mg9  1  0.500  0.500  0.500  1.0
  Al  Al10  1  0.112  0.373  0.500  1.0
  Al  Al11  1  0.888  0.627  0.500  1.0
  Al  Al12  1  0.112  0.627  0.500  1.0
  Al  Al13  1  0.888  0.373  0.500  1.0
  Al  Al14  1  0.373  0.888  0.500  1.0
  Al  Al15  1  0.627  0.112  0.500  1.0
  Al  Al16  1  0.373  0.112  0.500  1.0
  Al  Al17  1  0.627  0.888  0.500  1.0
  Al  Al18  1  0.332  0.332  0.500  1.0
  Al  Al19  1  0.668  0.668  0.500  1.0
  Al  Al20  1  0.332  0.668  0.500  1.0
  Al  Al21  1  0.668  0.332  0.500  1.0
  Fe  Fe22  1  0.306  0.000  0.000  1.0
  Fe  Fe23  1  0.694  0.000  0.000  1.0
  Fe  Fe24  1  0.000  0.694  0.000  1.0
  Fe  Fe25  1  0.000  0.306  0.000  1.0
  Si  Si26  1  0.189  0.000  0.500  1.0
  Si  Si27  1  0.811  0.000  0.500  1.0
  Si  Si28  1  0.000  0.811  0.500  1.0
  Si  Si29  1  0.000  0.189  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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