The crystal structure described by Mn5Pd2Bi4 crystallizes in the cubic F-43m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 10-coordinate geometry to two equivalent Mn(2), two equivalent Pd(1), one Bi(2), one Bi(3), and four equivalent Bi(1) atoms. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to three equivalent Mn(1), three equivalent Pd(1), one Bi(2), and three equivalent Bi(1) atoms. Pd(1) is bonded in a 10-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), one Bi(3), and three equivalent Bi(1) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to two equivalent Mn(2), four equivalent Mn(1), and two equivalent Pd(1) atoms. In the second Bi site, Bi(2) is bonded in a 10-coordinate geometry to four equivalent Mn(2) and six equivalent Mn(1) atoms. In the third Bi site, Bi(3) is bonded in a distorted q6 geometry to six equivalent Mn(1) and four equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_Mn5(Bi2Pd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.745
_cell_length_b   8.745
_cell_length_c   8.745
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   472.943
_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  0.249  0.249  0.751  1.0
  Mn  Mn1  1  0.751  0.249  0.751  1.0
  Mn  Mn2  1  0.249  0.751  0.751  1.0
  Mn  Mn3  1  0.751  0.751  0.249  1.0
  Mn  Mn4  1  0.249  0.751  0.249  1.0
  Mn  Mn5  1  0.751  0.249  0.249  1.0
  Mn  Mn6  1  0.152  0.152  0.543  1.0
  Mn  Mn7  1  0.152  0.543  0.152  1.0
  Mn  Mn8  1  0.543  0.152  0.152  1.0
  Mn  Mn9  1  0.152  0.152  0.152  1.0
  Bi  Bi10  1  0.960  0.960  0.540  1.0
  Bi  Bi11  1  0.540  0.960  0.540  1.0
  Bi  Bi12  1  0.960  0.540  0.540  1.0
  Bi  Bi13  1  0.540  0.540  0.960  1.0
  Bi  Bi14  1  0.960  0.540  0.960  1.0
  Bi  Bi15  1  0.540  0.960  0.960  1.0
  Bi  Bi16  1  0.000  0.000  0.000  1.0
  Bi  Bi17  1  0.500  0.500  0.500  1.0
  Pd  Pd18  1  0.368  0.368  0.896  1.0
  Pd  Pd19  1  0.368  0.896  0.368  1.0
  Pd  Pd20  1  0.896  0.368  0.368  1.0
  Pd  Pd21  1  0.368  0.368  0.368  1.0
[/CIF]
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The crystal structure described by Mn5Pd2Bi4 crystallizes in the cubic F-43m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 10-coordinate geometry to two equivalent Mn(2), two equivalent Pd(1), one Bi(2), one Bi(3), and four equivalent Bi(1) atoms. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to three equivalent Mn(1), three equivalent Pd(1), one Bi(2), and three equivalent Bi(1) atoms. Pd(1) is bonded in a 10-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), one Bi(3), and three equivalent Bi(1) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to two equivalent Mn(2), four equivalent Mn(1), and two equivalent Pd(1) atoms. In the second Bi site, Bi(2) is bonded in a 10-coordinate geometry to four equivalent Mn(2) and six equivalent Mn(1) atoms. In the third Bi site, Bi(3) is bonded in a distorted q6 geometry to six equivalent Mn(1) and four equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_Mn5(Bi2Pd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.745
_cell_length_b   8.745
_cell_length_c   8.745
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   472.943
_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  0.249  0.249  0.751  1.0
  Mn  Mn1  1  0.751  0.249  0.751  1.0
  Mn  Mn2  1  0.249  0.751  0.751  1.0
  Mn  Mn3  1  0.751  0.751  0.249  1.0
  Mn  Mn4  1  0.249  0.751  0.249  1.0
  Mn  Mn5  1  0.751  0.249  0.249  1.0
  Mn  Mn6  1  0.152  0.152  0.543  1.0
  Mn  Mn7  1  0.152  0.543  0.152  1.0
  Mn  Mn8  1  0.543  0.152  0.152  1.0
  Mn  Mn9  1  0.152  0.152  0.152  1.0
  Bi  Bi10  1  0.960  0.960  0.540  1.0
  Bi  Bi11  1  0.540  0.960  0.540  1.0
  Bi  Bi12  1  0.960  0.540  0.540  1.0
  Bi  Bi13  1  0.540  0.540  0.960  1.0
  Bi  Bi14  1  0.960  0.540  0.960  1.0
  Bi  Bi15  1  0.540  0.960  0.960  1.0
  Bi  Bi16  1  0.000  0.000  0.000  1.0
  Bi  Bi17  1  0.500  0.500  0.500  1.0
  Pd  Pd18  1  0.368  0.368  0.896  1.0
  Pd  Pd19  1  0.368  0.896  0.368  1.0
  Pd  Pd20  1  0.896  0.368  0.368  1.0
  Pd  Pd21  1  0.368  0.368  0.368  1.0
[/CIF]
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