The compound described by Mn2Pd3Sn is Heusler-like structured and crystallizes in the trigonal P-3m1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to two equivalent Pd(3) and six equivalent Pd(1) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to one Pd(1); three equivalent Pd(3); and four Pd(2,2) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to two equivalent Pd(3) and six Pd(2,2) atoms. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(1), and four equivalent Sn(1) atoms. In the second Pd site, Pd(2) is bonded in a body-centered cubic geometry to three equivalent Mn(3), four equivalent Mn(2), and one Sn(1) atom. In the third Pd site, Pd(3) is bonded in a body-centered cubic geometry to one Mn(1), one Mn(3), three equivalent Mn(2), and three equivalent Sn(1) atoms. In the fourth Pd site, Pd(2) is bonded in a body-centered cubic geometry to three equivalent Mn(3), four equivalent Mn(2), and one Sn(1) atom. Sn(1) is bonded in a distorted body-centered cubic geometry to one Pd(2), three equivalent Pd(3), and four equivalent Pd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2SnPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.479
_cell_length_b   4.479
_cell_length_c   11.016
_cell_angle_alpha   89.999
_cell_angle_beta   90.001
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   191.426
_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  0.000  0.000  0.500  1.0
  Mn  Mn1  1  0.333  0.667  0.159  1.0
  Mn  Mn2  1  0.667  0.333  0.841  1.0
  Mn  Mn3  1  0.000  1.000  0.000  1.0
  Sn  Sn4  1  0.333  0.667  0.668  1.0
  Sn  Sn5  1  0.667  0.333  0.332  1.0
  Pd  Pd6  1  0.333  0.667  0.415  1.0
  Pd  Pd7  1  0.667  0.333  0.083  1.0
  Pd  Pd8  1  1.000  0.000  0.754  1.0
  Pd  Pd9  1  0.000  1.000  0.246  1.0
  Pd  Pd10  1  0.333  0.667  0.917  1.0
  Pd  Pd11  1  0.667  0.333  0.585  1.0
[/CIF]
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The compound described by Mn2Pd3Sn is Heusler-like structured and crystallizes in the trigonal P-3m1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to two equivalent Pd(3) and six equivalent Pd(1) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to one Pd(1); three equivalent Pd(3); and four Pd(2,2) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to two equivalent Pd(3) and six Pd(2,2) atoms. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(1), and four equivalent Sn(1) atoms. In the second Pd site, Pd(2) is bonded in a body-centered cubic geometry to three equivalent Mn(3), four equivalent Mn(2), and one Sn(1) atom. In the third Pd site, Pd(3) is bonded in a body-centered cubic geometry to one Mn(1), one Mn(3), three equivalent Mn(2), and three equivalent Sn(1) atoms. In the fourth Pd site, Pd(2) is bonded in a body-centered cubic geometry to three equivalent Mn(3), four equivalent Mn(2), and one Sn(1) atom. Sn(1) is bonded in a distorted body-centered cubic geometry to one Pd(2), three equivalent Pd(3), and four equivalent Pd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2SnPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.479
_cell_length_b   4.479
_cell_length_c   11.016
_cell_angle_alpha   89.999
_cell_angle_beta   90.001
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   191.426
_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  0.000  0.000  0.500  1.0
  Mn  Mn1  1  0.333  0.667  0.159  1.0
  Mn  Mn2  1  0.667  0.333  0.841  1.0
  Mn  Mn3  1  0.000  1.000  0.000  1.0
  Sn  Sn4  1  0.333  0.667  0.668  1.0
  Sn  Sn5  1  0.667  0.333  0.332  1.0
  Pd  Pd6  1  0.333  0.667  0.415  1.0
  Pd  Pd7  1  0.667  0.333  0.083  1.0
  Pd  Pd8  1  1.000  0.000  0.754  1.0
  Pd  Pd9  1  0.000  1.000  0.246  1.0
  Pd  Pd10  1  0.333  0.667  0.917  1.0
  Pd  Pd11  1  0.667  0.333  0.585  1.0
[/CIF]
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