The material described by Pd3Mn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Mn(1) is bonded to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form MnPd12 cuboctahedra that share corners with four equivalent Pd(1)Mn4Pd8 cuboctahedra, corners with eight equivalent Mn(1)Pd12 cuboctahedra, edges with four equivalent Mn(1)Pd12 cuboctahedra, edges with four equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with four equivalent Pd(2)Mn4Pd8 cuboctahedra, faces with four equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with five equivalent Mn(1)Pd12 cuboctahedra, and faces with five equivalent Pd(1)Mn4Pd8 cuboctahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(3) is bonded to four equivalent Mn(1), four equivalent Pd(1), and four equivalent Pd(3) atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with four equivalent Pd(3)Mn4Pd8 cuboctahedra, corners with eight equivalent Pd(2)Mn4Pd8 cuboctahedra, edges with eight equivalent Mn(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Mn4Pd8 cuboctahedra, faces with two equivalent Pd(2)Mn4Pd8 cuboctahedra, faces with four equivalent Mn(1)Pd12 cuboctahedra, faces with four equivalent Pd(1)Mn4Pd8 cuboctahedra, and faces with eight equivalent Pd(3)Mn4Pd8 cuboctahedra. In the second Pd site, Pd(1) is bonded to four equivalent Mn(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with four equivalent Mn(1)Pd12 cuboctahedra, corners with eight equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with four equivalent Mn(1)Pd12 cuboctahedra, edges with four equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with four equivalent Pd(2)Mn4Pd8 cuboctahedra, faces with four equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with five equivalent Mn(1)Pd12 cuboctahedra, and faces with five equivalent Pd(1)Mn4Pd8 cuboctahedra. In the third Pd site, Pd(2) is bonded to four equivalent Mn(1), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Mn4Pd8 cuboctahedra, corners with eight equivalent Pd(3)Mn4Pd8 cuboctahedra, edges with eight equivalent Mn(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with two equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with four equivalent Mn(1)Pd12 cuboctahedra, faces with four equivalent Pd(1)Mn4Pd8 cuboctahedra, and faces with eight equivalent Pd(2)Mn4Pd8 cuboctahedra. is represented by the CIF card [CIF]
data_MnPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.921
_cell_length_b   3.921
_cell_length_c   8.259
_cell_angle_alpha   103.696
_cell_angle_beta   103.696
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   119.676
_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
  Mn  Mn0  1  0.124  0.124  0.248  1.0
  Mn  Mn1  1  0.876  0.876  0.752  1.0
  Pd  Pd2  1  0.375  0.375  0.749  1.0
  Pd  Pd3  1  0.625  0.625  0.251  1.0
  Pd  Pd4  1  0.500  1.000  1.000  1.0
  Pd  Pd5  1  1.000  0.500  1.000  1.0
  Pd  Pd6  1  0.750  0.250  0.500  1.0
  Pd  Pd7  1  0.250  0.750  0.500  1.0
[/CIF]
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The material described by Pd3Mn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Mn(1) is bonded to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form MnPd12 cuboctahedra that share corners with four equivalent Pd(1)Mn4Pd8 cuboctahedra, corners with eight equivalent Mn(1)Pd12 cuboctahedra, edges with four equivalent Mn(1)Pd12 cuboctahedra, edges with four equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with four equivalent Pd(2)Mn4Pd8 cuboctahedra, faces with four equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with five equivalent Mn(1)Pd12 cuboctahedra, and faces with five equivalent Pd(1)Mn4Pd8 cuboctahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(3) is bonded to four equivalent Mn(1), four equivalent Pd(1), and four equivalent Pd(3) atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with four equivalent Pd(3)Mn4Pd8 cuboctahedra, corners with eight equivalent Pd(2)Mn4Pd8 cuboctahedra, edges with eight equivalent Mn(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Mn4Pd8 cuboctahedra, faces with two equivalent Pd(2)Mn4Pd8 cuboctahedra, faces with four equivalent Mn(1)Pd12 cuboctahedra, faces with four equivalent Pd(1)Mn4Pd8 cuboctahedra, and faces with eight equivalent Pd(3)Mn4Pd8 cuboctahedra. In the second Pd site, Pd(1) is bonded to four equivalent Mn(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with four equivalent Mn(1)Pd12 cuboctahedra, corners with eight equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with four equivalent Mn(1)Pd12 cuboctahedra, edges with four equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with four equivalent Pd(2)Mn4Pd8 cuboctahedra, faces with four equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with five equivalent Mn(1)Pd12 cuboctahedra, and faces with five equivalent Pd(1)Mn4Pd8 cuboctahedra. In the third Pd site, Pd(2) is bonded to four equivalent Mn(1), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Mn4Pd8 cuboctahedra, corners with eight equivalent Pd(3)Mn4Pd8 cuboctahedra, edges with eight equivalent Mn(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with two equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with four equivalent Mn(1)Pd12 cuboctahedra, faces with four equivalent Pd(1)Mn4Pd8 cuboctahedra, and faces with eight equivalent Pd(2)Mn4Pd8 cuboctahedra. is represented by the CIF card [CIF]
data_MnPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.921
_cell_length_b   3.921
_cell_length_c   8.259
_cell_angle_alpha   103.696
_cell_angle_beta   103.696
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   119.676
_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
  Mn  Mn0  1  0.124  0.124  0.248  1.0
  Mn  Mn1  1  0.876  0.876  0.752  1.0
  Pd  Pd2  1  0.375  0.375  0.749  1.0
  Pd  Pd3  1  0.625  0.625  0.251  1.0
  Pd  Pd4  1  0.500  1.000  1.000  1.0
  Pd  Pd5  1  1.000  0.500  1.000  1.0
  Pd  Pd6  1  0.750  0.250  0.500  1.0
  Pd  Pd7  1  0.250  0.750  0.500  1.0
[/CIF]
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