The material 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), four equivalent Pd(2), and four equivalent Pd(3) atoms to form MgPd12 cuboctahedra that share corners with eight equivalent Mg(1)Pd12 cuboctahedra, edges with four equivalent Mg(1)Pd12 cuboctahedra, edges with eight equivalent Pd(2)Mg4Pd8 cuboctahedra, faces with four equivalent Pd(2)Mg4Pd8 cuboctahedra, and faces with five equivalent Mg(1)Pd12 cuboctahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(3) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Mg(1) and four equivalent Pd(2) atoms. In the second Pd site, Pd(1) is bonded in a distorted square co-planar geometry to four equivalent Mg(1) atoms. In the third Pd site, Pd(2) is bonded to four equivalent Mg(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form distorted PdMg4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Mg4Pd8 cuboctahedra, edges with eight equivalent Mg(1)Pd12 cuboctahedra, faces with four equivalent Mg(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(2)Mg4Pd8 cuboctahedra. is represented by the CIF file [CIF]
data_MgPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.931
_cell_length_b   3.931
_cell_length_c   8.371
_cell_angle_alpha   103.578
_cell_angle_beta   103.578
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.994
_cell_formula_units_Z   2
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  0.124  0.124  0.247  1.0
  Mg  Mg1  1  0.876  0.876  0.753  1.0
  Pd  Pd2  1  0.500  0.000  0.000  1.0
  Pd  Pd3  1  0.000  0.500  0.000  1.0
  Pd  Pd4  1  0.750  0.250  0.500  1.0
  Pd  Pd5  1  0.250  0.750  0.500  1.0
  Pd  Pd6  1  0.375  0.375  0.749  1.0
  Pd  Pd7  1  0.625  0.625  0.251  1.0
[/CIF]
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The material 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), four equivalent Pd(2), and four equivalent Pd(3) atoms to form MgPd12 cuboctahedra that share corners with eight equivalent Mg(1)Pd12 cuboctahedra, edges with four equivalent Mg(1)Pd12 cuboctahedra, edges with eight equivalent Pd(2)Mg4Pd8 cuboctahedra, faces with four equivalent Pd(2)Mg4Pd8 cuboctahedra, and faces with five equivalent Mg(1)Pd12 cuboctahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(3) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Mg(1) and four equivalent Pd(2) atoms. In the second Pd site, Pd(1) is bonded in a distorted square co-planar geometry to four equivalent Mg(1) atoms. In the third Pd site, Pd(2) is bonded to four equivalent Mg(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form distorted PdMg4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Mg4Pd8 cuboctahedra, edges with eight equivalent Mg(1)Pd12 cuboctahedra, faces with four equivalent Mg(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(2)Mg4Pd8 cuboctahedra. is represented by the CIF file [CIF]
data_MgPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.931
_cell_length_b   3.931
_cell_length_c   8.371
_cell_angle_alpha   103.578
_cell_angle_beta   103.578
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.994
_cell_formula_units_Z   2
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  0.124  0.124  0.247  1.0
  Mg  Mg1  1  0.876  0.876  0.753  1.0
  Pd  Pd2  1  0.500  0.000  0.000  1.0
  Pd  Pd3  1  0.000  0.500  0.000  1.0
  Pd  Pd4  1  0.750  0.250  0.500  1.0
  Pd  Pd5  1  0.250  0.750  0.500  1.0
  Pd  Pd6  1  0.375  0.375  0.749  1.0
  Pd  Pd7  1  0.625  0.625  0.251  1.0
[/CIF]
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