The material structure described by MgPd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to four equivalent Pd(1) and eight equivalent Pd(2) atoms to form MgPd12 cuboctahedra that share corners with four equivalent Mg(1)Pd12 cuboctahedra, corners with eight equivalent Pd(1)Mg4Pd8 cuboctahedra, corners with sixteen equivalent Pd(2)Mg4Pd4 cuboctahedra, edges with eight equivalent Mg(1)Pd12 cuboctahedra, edges with eight equivalent Pd(2)Mg4Pd4 cuboctahedra, faces with four equivalent Mg(1)Pd12 cuboctahedra, and faces with six equivalent Pd(1)Mg4Pd8 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Mg(1) and eight equivalent Pd(2) atoms to form distorted PdMg4Pd8 cuboctahedra that share corners with four equivalent Pd(1)Mg4Pd8 cuboctahedra, corners with eight equivalent Mg(1)Pd12 cuboctahedra, corners with sixteen equivalent Pd(2)Mg4Pd4 cuboctahedra, edges with eight equivalent Pd(2)Mg4Pd4 cuboctahedra, edges with eight equivalent Pd(1)Mg4Pd8 cuboctahedra, faces with four equivalent Pd(1)Mg4Pd8 cuboctahedra, and faces with six equivalent Mg(1)Pd12 cuboctahedra. In the second Pd site, Pd(2) is bonded to four equivalent Mg(1) and four equivalent Pd(1) atoms to form distorted PdMg4Pd4 cuboctahedra that share corners with eight equivalent Mg(1)Pd12 cuboctahedra, corners with eight equivalent Pd(2)Mg4Pd4 cuboctahedra, corners with eight equivalent Pd(1)Mg4Pd8 cuboctahedra, edges with four equivalent Mg(1)Pd12 cuboctahedra, edges with four equivalent Pd(1)Mg4Pd8 cuboctahedra, edges with twelve equivalent Pd(2)Mg4Pd4 cuboctahedra, and faces with six equivalent Pd(2)Mg4Pd4 cuboctahedra. is represented by the CIF file [CIF]
data_MgPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.782
_cell_length_b   4.782
_cell_length_c   4.782
_cell_angle_alpha   130.867
_cell_angle_beta   130.867
_cell_angle_gamma   72.024
_symmetry_Int_Tables_number   1
_cell_volume   61.157
_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  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.500  0.500  0.000  1.0
  Pd  Pd2  1  0.750  0.250  0.500  1.0
  Pd  Pd3  1  0.250  0.750  0.500  1.0
[/CIF]
.
The material structure described by MgPd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to four equivalent Pd(1) and eight equivalent Pd(2) atoms to form MgPd12 cuboctahedra that share corners with four equivalent Mg(1)Pd12 cuboctahedra, corners with eight equivalent Pd(1)Mg4Pd8 cuboctahedra, corners with sixteen equivalent Pd(2)Mg4Pd4 cuboctahedra, edges with eight equivalent Mg(1)Pd12 cuboctahedra, edges with eight equivalent Pd(2)Mg4Pd4 cuboctahedra, faces with four equivalent Mg(1)Pd12 cuboctahedra, and faces with six equivalent Pd(1)Mg4Pd8 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Mg(1) and eight equivalent Pd(2) atoms to form distorted PdMg4Pd8 cuboctahedra that share corners with four equivalent Pd(1)Mg4Pd8 cuboctahedra, corners with eight equivalent Mg(1)Pd12 cuboctahedra, corners with sixteen equivalent Pd(2)Mg4Pd4 cuboctahedra, edges with eight equivalent Pd(2)Mg4Pd4 cuboctahedra, edges with eight equivalent Pd(1)Mg4Pd8 cuboctahedra, faces with four equivalent Pd(1)Mg4Pd8 cuboctahedra, and faces with six equivalent Mg(1)Pd12 cuboctahedra. In the second Pd site, Pd(2) is bonded to four equivalent Mg(1) and four equivalent Pd(1) atoms to form distorted PdMg4Pd4 cuboctahedra that share corners with eight equivalent Mg(1)Pd12 cuboctahedra, corners with eight equivalent Pd(2)Mg4Pd4 cuboctahedra, corners with eight equivalent Pd(1)Mg4Pd8 cuboctahedra, edges with four equivalent Mg(1)Pd12 cuboctahedra, edges with four equivalent Pd(1)Mg4Pd8 cuboctahedra, edges with twelve equivalent Pd(2)Mg4Pd4 cuboctahedra, and faces with six equivalent Pd(2)Mg4Pd4 cuboctahedra. is represented by the CIF file [CIF]
data_MgPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.782
_cell_length_b   4.782
_cell_length_c   4.782
_cell_angle_alpha   130.867
_cell_angle_beta   130.867
_cell_angle_gamma   72.024
_symmetry_Int_Tables_number   1
_cell_volume   61.157
_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  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.500  0.500  0.000  1.0
  Pd  Pd2  1  0.750  0.250  0.500  1.0
  Pd  Pd3  1  0.250  0.750  0.500  1.0
[/CIF]
.