The crystal structure described by In3Pd5 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to two equivalent In(2) and four equivalent In(1) atoms. In the second Pd site, Pd(2) is bonded in a 5-coordinate geometry to one In(2) and four equivalent In(1) atoms. In the third Pd site, Pd(3) is bonded to two equivalent In(2) and four equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing PdIn6 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to two equivalent Pd(3), four equivalent Pd(1), and four equivalent Pd(2) atoms. In the second In site, In(2) is bonded in a body-centered cubic geometry to two equivalent Pd(2), two equivalent Pd(3), and four equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_In3Pd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.223
_cell_length_b   5.683
_cell_length_c   11.215
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.145
_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
  In  In0  1  0.500  0.319  0.857  1.0
  In  In1  1  0.500  0.819  0.643  1.0
  In  In2  1  0.000  0.500  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  In  In4  1  0.500  0.681  0.143  1.0
  In  In5  1  0.500  0.181  0.357  1.0
  Pd  Pd6  1  0.500  0.702  0.391  1.0
  Pd  Pd7  1  0.500  0.298  0.609  1.0
  Pd  Pd8  1  0.000  0.064  0.756  1.0
  Pd  Pd9  1  0.500  0.798  0.891  1.0
  Pd  Pd10  1  0.000  0.436  0.256  1.0
  Pd  Pd11  1  0.000  0.936  0.244  1.0
  Pd  Pd12  1  0.000  0.564  0.744  1.0
  Pd  Pd13  1  0.000  0.500  0.000  1.0
  Pd  Pd14  1  0.000  0.000  0.500  1.0
  Pd  Pd15  1  0.500  0.202  0.109  1.0
[/CIF]
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The crystal structure described by In3Pd5 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to two equivalent In(2) and four equivalent In(1) atoms. In the second Pd site, Pd(2) is bonded in a 5-coordinate geometry to one In(2) and four equivalent In(1) atoms. In the third Pd site, Pd(3) is bonded to two equivalent In(2) and four equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing PdIn6 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to two equivalent Pd(3), four equivalent Pd(1), and four equivalent Pd(2) atoms. In the second In site, In(2) is bonded in a body-centered cubic geometry to two equivalent Pd(2), two equivalent Pd(3), and four equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_In3Pd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.223
_cell_length_b   5.683
_cell_length_c   11.215
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.145
_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
  In  In0  1  0.500  0.319  0.857  1.0
  In  In1  1  0.500  0.819  0.643  1.0
  In  In2  1  0.000  0.500  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  In  In4  1  0.500  0.681  0.143  1.0
  In  In5  1  0.500  0.181  0.357  1.0
  Pd  Pd6  1  0.500  0.702  0.391  1.0
  Pd  Pd7  1  0.500  0.298  0.609  1.0
  Pd  Pd8  1  0.000  0.064  0.756  1.0
  Pd  Pd9  1  0.500  0.798  0.891  1.0
  Pd  Pd10  1  0.000  0.436  0.256  1.0
  Pd  Pd11  1  0.000  0.936  0.244  1.0
  Pd  Pd12  1  0.000  0.564  0.744  1.0
  Pd  Pd13  1  0.000  0.500  0.000  1.0
  Pd  Pd14  1  0.000  0.000  0.500  1.0
  Pd  Pd15  1  0.500  0.202  0.109  1.0
[/CIF]
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