The material described by MgYb4Pd crystallizes in the cubic F-43m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent Yb(1), three equivalent Yb(2), and three equivalent Yb(3) atoms to form a mixture of face and corner-sharing MgYb9Mg3 cuboctahedra. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Pd(1) atoms. In the second Yb site, Yb(2) is bonded in a bent 150 degrees geometry to two equivalent Mg(1) and two equivalent Pd(1) atoms. In the third Yb site, Yb(3) is bonded in a 3-coordinate geometry to three equivalent Mg(1) and three equivalent Pd(1) atoms. Pd(1) is bonded in a 6-coordinate geometry to three equivalent Yb(1), three equivalent Yb(2), and three equivalent Yb(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb4MgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.975
_cell_length_b   9.975
_cell_length_c   9.975
_cell_angle_alpha   59.999
_cell_angle_beta   59.999
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   701.845
_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
  Yb  Yb0  1  0.696  0.696  0.304  1.0
  Yb  Yb1  1  0.304  0.696  0.304  1.0
  Yb  Yb2  1  0.696  0.304  0.304  1.0
  Yb  Yb3  1  0.304  0.304  0.696  1.0
  Yb  Yb4  1  0.696  0.304  0.696  1.0
  Yb  Yb5  1  0.304  0.696  0.696  1.0
  Yb  Yb6  1  0.058  0.058  0.442  1.0
  Yb  Yb7  1  0.442  0.058  0.442  1.0
  Yb  Yb8  1  0.058  0.442  0.442  1.0
  Yb  Yb9  1  0.442  0.442  0.058  1.0
  Yb  Yb10  1  0.058  0.442  0.058  1.0
  Yb  Yb11  1  0.442  0.058  0.058  1.0
  Yb  Yb12  1  0.907  0.907  0.280  1.0
  Yb  Yb13  1  0.907  0.280  0.907  1.0
  Yb  Yb14  1  0.280  0.907  0.907  1.0
  Yb  Yb15  1  0.907  0.907  0.907  1.0
  Mg  Mg16  1  0.672  0.672  0.984  1.0
  Mg  Mg17  1  0.672  0.984  0.672  1.0
  Mg  Mg18  1  0.984  0.672  0.672  1.0
  Mg  Mg19  1  0.672  0.672  0.672  1.0
  Pd  Pd20  1  0.111  0.111  0.668  1.0
  Pd  Pd21  1  0.111  0.668  0.111  1.0
  Pd  Pd22  1  0.668  0.111  0.111  1.0
  Pd  Pd23  1  0.111  0.111  0.111  1.0
[/CIF]
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The material described by MgYb4Pd crystallizes in the cubic F-43m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent Yb(1), three equivalent Yb(2), and three equivalent Yb(3) atoms to form a mixture of face and corner-sharing MgYb9Mg3 cuboctahedra. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Pd(1) atoms. In the second Yb site, Yb(2) is bonded in a bent 150 degrees geometry to two equivalent Mg(1) and two equivalent Pd(1) atoms. In the third Yb site, Yb(3) is bonded in a 3-coordinate geometry to three equivalent Mg(1) and three equivalent Pd(1) atoms. Pd(1) is bonded in a 6-coordinate geometry to three equivalent Yb(1), three equivalent Yb(2), and three equivalent Yb(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb4MgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.975
_cell_length_b   9.975
_cell_length_c   9.975
_cell_angle_alpha   59.999
_cell_angle_beta   59.999
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   701.845
_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
  Yb  Yb0  1  0.696  0.696  0.304  1.0
  Yb  Yb1  1  0.304  0.696  0.304  1.0
  Yb  Yb2  1  0.696  0.304  0.304  1.0
  Yb  Yb3  1  0.304  0.304  0.696  1.0
  Yb  Yb4  1  0.696  0.304  0.696  1.0
  Yb  Yb5  1  0.304  0.696  0.696  1.0
  Yb  Yb6  1  0.058  0.058  0.442  1.0
  Yb  Yb7  1  0.442  0.058  0.442  1.0
  Yb  Yb8  1  0.058  0.442  0.442  1.0
  Yb  Yb9  1  0.442  0.442  0.058  1.0
  Yb  Yb10  1  0.058  0.442  0.058  1.0
  Yb  Yb11  1  0.442  0.058  0.058  1.0
  Yb  Yb12  1  0.907  0.907  0.280  1.0
  Yb  Yb13  1  0.907  0.280  0.907  1.0
  Yb  Yb14  1  0.280  0.907  0.907  1.0
  Yb  Yb15  1  0.907  0.907  0.907  1.0
  Mg  Mg16  1  0.672  0.672  0.984  1.0
  Mg  Mg17  1  0.672  0.984  0.672  1.0
  Mg  Mg18  1  0.984  0.672  0.672  1.0
  Mg  Mg19  1  0.672  0.672  0.672  1.0
  Pd  Pd20  1  0.111  0.111  0.668  1.0
  Pd  Pd21  1  0.111  0.668  0.111  1.0
  Pd  Pd22  1  0.668  0.111  0.111  1.0
  Pd  Pd23  1  0.111  0.111  0.111  1.0
[/CIF]
.