The structure described by Mn3Pd5 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a body-centered cubic geometry to four equivalent Pd(2) and four equivalent Pd(3) atoms. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to two equivalent Pd(1), four equivalent Pd(2), and four equivalent Pd(3) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Mn(2) atoms to form distorted edge-sharing PdMn4 cuboctahedra. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to two equivalent Mn(1) and four equivalent Mn(2) atoms. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to two equivalent Mn(1) and four equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Pd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.099
_cell_length_b   5.434
_cell_length_c   5.434
_cell_angle_alpha   97.452
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.015
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.724  0.276  1.0
  Mn  Mn2  1  0.500  0.276  0.724  1.0
  Pd  Pd3  1  0.000  0.500  0.500  1.0
  Pd  Pd4  1  0.000  0.000  0.500  1.0
  Pd  Pd5  1  0.000  0.500  0.000  1.0
  Pd  Pd6  1  0.500  0.224  0.224  1.0
  Pd  Pd7  1  0.500  0.776  0.776  1.0
[/CIF]
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The structure described by Mn3Pd5 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a body-centered cubic geometry to four equivalent Pd(2) and four equivalent Pd(3) atoms. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to two equivalent Pd(1), four equivalent Pd(2), and four equivalent Pd(3) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Mn(2) atoms to form distorted edge-sharing PdMn4 cuboctahedra. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to two equivalent Mn(1) and four equivalent Mn(2) atoms. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to two equivalent Mn(1) and four equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Pd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.099
_cell_length_b   5.434
_cell_length_c   5.434
_cell_angle_alpha   97.452
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.015
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.724  0.276  1.0
  Mn  Mn2  1  0.500  0.276  0.724  1.0
  Pd  Pd3  1  0.000  0.500  0.500  1.0
  Pd  Pd4  1  0.000  0.000  0.500  1.0
  Pd  Pd5  1  0.000  0.500  0.000  1.0
  Pd  Pd6  1  0.500  0.224  0.224  1.0
  Pd  Pd7  1  0.500  0.776  0.776  1.0
[/CIF]
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