The material structure described by Mg5(Pd5Si8)2 crystallizes in the cubic F-43m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to three equivalent Pd(1) and three equivalent Pd(2) atoms. In the second Mg site, Mg(2) is bonded in a tetrahedral geometry to four equivalent Pd(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Si(2), and four equivalent Si(1) atoms. In the second Pd site, Pd(2) is bonded in a 7-coordinate geometry to one Mg(2), three equivalent Mg(1), and three equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to one Pd(2), two equivalent Pd(1), and three equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a distorted trigonal planar geometry to three equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_Mg5(Si8Pd5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.897
_cell_length_b   8.897
_cell_length_c   8.897
_cell_angle_alpha   60.001
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   498.049
_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
  Mg  Mg0  1  0.210  0.597  0.597  1.0
  Mg  Mg1  1  0.597  0.597  0.210  1.0
  Mg  Mg2  1  0.597  0.597  0.597  1.0
  Mg  Mg3  1  0.597  0.210  0.597  1.0
  Mg  Mg4  1  0.250  0.250  0.250  1.0
  Si  Si5  1  0.205  0.663  0.205  1.0
  Si  Si6  1  0.928  0.663  0.205  1.0
  Si  Si7  1  0.205  0.205  0.663  1.0
  Si  Si8  1  0.663  0.205  0.205  1.0
  Si  Si9  1  0.928  0.205  0.663  1.0
  Si  Si10  1  0.205  0.663  0.928  1.0
  Si  Si11  1  0.928  0.205  0.205  1.0
  Si  Si12  1  0.663  0.928  0.205  1.0
  Si  Si13  1  0.205  0.928  0.205  1.0
  Si  Si14  1  0.205  0.928  0.663  1.0
  Si  Si15  1  0.535  0.822  0.822  1.0
  Si  Si16  1  0.822  0.822  0.822  1.0
  Si  Si17  1  0.663  0.205  0.928  1.0
  Si  Si18  1  0.822  0.822  0.535  1.0
  Si  Si19  1  0.822  0.535  0.822  1.0
  Si  Si20  1  0.205  0.205  0.928  1.0
  Pd  Pd21  1  0.986  0.986  0.514  1.0
  Pd  Pd22  1  0.514  0.986  0.514  1.0
  Pd  Pd23  1  0.986  0.514  0.986  1.0
  Pd  Pd24  1  0.377  0.377  0.869  1.0
  Pd  Pd25  1  0.377  0.377  0.377  1.0
  Pd  Pd26  1  0.869  0.377  0.377  1.0
  Pd  Pd27  1  0.986  0.514  0.514  1.0
  Pd  Pd28  1  0.514  0.514  0.986  1.0
  Pd  Pd29  1  0.377  0.869  0.377  1.0
  Pd  Pd30  1  0.514  0.986  0.986  1.0
[/CIF]
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The material structure described by Mg5(Pd5Si8)2 crystallizes in the cubic F-43m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to three equivalent Pd(1) and three equivalent Pd(2) atoms. In the second Mg site, Mg(2) is bonded in a tetrahedral geometry to four equivalent Pd(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Si(2), and four equivalent Si(1) atoms. In the second Pd site, Pd(2) is bonded in a 7-coordinate geometry to one Mg(2), three equivalent Mg(1), and three equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to one Pd(2), two equivalent Pd(1), and three equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a distorted trigonal planar geometry to three equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_Mg5(Si8Pd5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.897
_cell_length_b   8.897
_cell_length_c   8.897
_cell_angle_alpha   60.001
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   498.049
_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
  Mg  Mg0  1  0.210  0.597  0.597  1.0
  Mg  Mg1  1  0.597  0.597  0.210  1.0
  Mg  Mg2  1  0.597  0.597  0.597  1.0
  Mg  Mg3  1  0.597  0.210  0.597  1.0
  Mg  Mg4  1  0.250  0.250  0.250  1.0
  Si  Si5  1  0.205  0.663  0.205  1.0
  Si  Si6  1  0.928  0.663  0.205  1.0
  Si  Si7  1  0.205  0.205  0.663  1.0
  Si  Si8  1  0.663  0.205  0.205  1.0
  Si  Si9  1  0.928  0.205  0.663  1.0
  Si  Si10  1  0.205  0.663  0.928  1.0
  Si  Si11  1  0.928  0.205  0.205  1.0
  Si  Si12  1  0.663  0.928  0.205  1.0
  Si  Si13  1  0.205  0.928  0.205  1.0
  Si  Si14  1  0.205  0.928  0.663  1.0
  Si  Si15  1  0.535  0.822  0.822  1.0
  Si  Si16  1  0.822  0.822  0.822  1.0
  Si  Si17  1  0.663  0.205  0.928  1.0
  Si  Si18  1  0.822  0.822  0.535  1.0
  Si  Si19  1  0.822  0.535  0.822  1.0
  Si  Si20  1  0.205  0.205  0.928  1.0
  Pd  Pd21  1  0.986  0.986  0.514  1.0
  Pd  Pd22  1  0.514  0.986  0.514  1.0
  Pd  Pd23  1  0.986  0.514  0.986  1.0
  Pd  Pd24  1  0.377  0.377  0.869  1.0
  Pd  Pd25  1  0.377  0.377  0.377  1.0
  Pd  Pd26  1  0.869  0.377  0.377  1.0
  Pd  Pd27  1  0.986  0.514  0.514  1.0
  Pd  Pd28  1  0.514  0.514  0.986  1.0
  Pd  Pd29  1  0.377  0.869  0.377  1.0
  Pd  Pd30  1  0.514  0.986  0.986  1.0
[/CIF]
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