The compound described by Mn5Pd10In4Sb is Heusler-derived structured and crystallizes in the trigonal R-3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a body-centered cubic geometry to one Pd(5), three equivalent Pd(1), four equivalent Pd(4), and three equivalent Sb(1) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to two equivalent Pd(3) and six equivalent Pd(2) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to one Pd(1), one Pd(2), three equivalent Pd(3), and three equivalent Pd(5) atoms. There are five inequivalent Pd sites. In the first Pd site, Pd(3) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(3), one In(1), and three equivalent In(2) atoms. In the second Pd site, Pd(4) is bonded in a body-centered cubic geometry to four equivalent Mn(1), one In(1), and three equivalent Sb(1) atoms. In the third Pd site, Pd(5) is bonded in a body-centered cubic geometry to one Mn(1), three equivalent Mn(3), one In(2), and three equivalent In(1) atoms. In the fourth Pd site, Pd(1) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(1), three equivalent In(1), and one Sb(1) atom. In the fifth Pd site, Pd(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(2), and four equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a body-centered cubic geometry to one Pd(3), one Pd(4), three equivalent Pd(1), and three equivalent Pd(5) atoms. In the second In site, In(2) is bonded in a body-centered cubic geometry to one Pd(5), three equivalent Pd(3), and four equivalent Pd(2) atoms. Sb(1) is bonded in a distorted body-centered cubic geometry to six equivalent Mn(1), two equivalent Pd(1), and six equivalent Pd(4) atoms. is represented by the CIF file [CIF]
data_Mn5In4SbPd10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.713
_cell_length_b   18.713
_cell_length_c   18.713
_cell_angle_alpha   13.948
_cell_angle_beta   13.948
_cell_angle_gamma   13.948
_symmetry_Int_Tables_number   1
_cell_volume   331.324
_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  0.700  0.700  0.700  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.100  0.100  0.100  1.0
  Mn  Mn3  1  0.300  0.300  0.300  1.0
  Mn  Mn4  1  0.900  0.900  0.900  1.0
  In  In5  1  0.600  0.600  0.600  1.0
  In  In6  1  0.200  0.200  0.200  1.0
  In  In7  1  0.800  0.800  0.800  1.0
  In  In8  1  0.400  0.400  0.400  1.0
  Sb  Sb9  1  0.000  0.000  0.000  1.0
  Pd  Pd10  1  0.050  0.050  0.050  1.0
  Pd  Pd11  1  0.850  0.850  0.850  1.0
  Pd  Pd12  1  0.450  0.450  0.450  1.0
  Pd  Pd13  1  0.650  0.650  0.650  1.0
  Pd  Pd14  1  0.250  0.250  0.250  1.0
  Pd  Pd15  1  0.350  0.350  0.350  1.0
  Pd  Pd16  1  0.150  0.150  0.150  1.0
  Pd  Pd17  1  0.750  0.750  0.750  1.0
  Pd  Pd18  1  0.950  0.950  0.950  1.0
  Pd  Pd19  1  0.550  0.550  0.550  1.0
[/CIF]
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The compound described by Mn5Pd10In4Sb is Heusler-derived structured and crystallizes in the trigonal R-3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a body-centered cubic geometry to one Pd(5), three equivalent Pd(1), four equivalent Pd(4), and three equivalent Sb(1) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to two equivalent Pd(3) and six equivalent Pd(2) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to one Pd(1), one Pd(2), three equivalent Pd(3), and three equivalent Pd(5) atoms. There are five inequivalent Pd sites. In the first Pd site, Pd(3) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(3), one In(1), and three equivalent In(2) atoms. In the second Pd site, Pd(4) is bonded in a body-centered cubic geometry to four equivalent Mn(1), one In(1), and three equivalent Sb(1) atoms. In the third Pd site, Pd(5) is bonded in a body-centered cubic geometry to one Mn(1), three equivalent Mn(3), one In(2), and three equivalent In(1) atoms. In the fourth Pd site, Pd(1) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(1), three equivalent In(1), and one Sb(1) atom. In the fifth Pd site, Pd(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(2), and four equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a body-centered cubic geometry to one Pd(3), one Pd(4), three equivalent Pd(1), and three equivalent Pd(5) atoms. In the second In site, In(2) is bonded in a body-centered cubic geometry to one Pd(5), three equivalent Pd(3), and four equivalent Pd(2) atoms. Sb(1) is bonded in a distorted body-centered cubic geometry to six equivalent Mn(1), two equivalent Pd(1), and six equivalent Pd(4) atoms. is represented by the CIF file [CIF]
data_Mn5In4SbPd10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.713
_cell_length_b   18.713
_cell_length_c   18.713
_cell_angle_alpha   13.948
_cell_angle_beta   13.948
_cell_angle_gamma   13.948
_symmetry_Int_Tables_number   1
_cell_volume   331.324
_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  0.700  0.700  0.700  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.100  0.100  0.100  1.0
  Mn  Mn3  1  0.300  0.300  0.300  1.0
  Mn  Mn4  1  0.900  0.900  0.900  1.0
  In  In5  1  0.600  0.600  0.600  1.0
  In  In6  1  0.200  0.200  0.200  1.0
  In  In7  1  0.800  0.800  0.800  1.0
  In  In8  1  0.400  0.400  0.400  1.0
  Sb  Sb9  1  0.000  0.000  0.000  1.0
  Pd  Pd10  1  0.050  0.050  0.050  1.0
  Pd  Pd11  1  0.850  0.850  0.850  1.0
  Pd  Pd12  1  0.450  0.450  0.450  1.0
  Pd  Pd13  1  0.650  0.650  0.650  1.0
  Pd  Pd14  1  0.250  0.250  0.250  1.0
  Pd  Pd15  1  0.350  0.350  0.350  1.0
  Pd  Pd16  1  0.150  0.150  0.150  1.0
  Pd  Pd17  1  0.750  0.750  0.750  1.0
  Pd  Pd18  1  0.950  0.950  0.950  1.0
  Pd  Pd19  1  0.550  0.550  0.550  1.0
[/CIF]
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