The compound described by Pt5In3 crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 3-coordinate geometry to three equivalent Pt(3) and three equivalent In(2) atoms. In the second Pt site, Pt(2) is bonded to three equivalent In(1) and three equivalent In(2) atoms to form a mixture of distorted face, corner, and edge-sharing PtIn6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the third Pt site, Pt(3) is bonded in a 6-coordinate geometry to six equivalent Pt(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to six equivalent Pt(2) atoms. In the second In site, In(2) is bonded in a 6-coordinate geometry to three equivalent Pt(1) and three equivalent Pt(2) atoms. is represented by the CIF card [CIF]
data_In3Pt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.116
_cell_length_b   4.116
_cell_length_c   11.096
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   162.815
_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
  In  In0  1  0.000  0.000  0.500  1.0
  In  In1  1  0.667  0.333  0.235  1.0
  In  In2  1  0.667  0.333  0.765  1.0
  Pt  Pt3  1  0.333  0.667  0.121  1.0
  Pt  Pt4  1  0.333  0.667  0.627  1.0
  Pt  Pt5  1  0.333  0.667  0.373  1.0
  Pt  Pt6  1  0.333  0.667  0.879  1.0
  Pt  Pt7  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Pt5In3 crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 3-coordinate geometry to three equivalent Pt(3) and three equivalent In(2) atoms. In the second Pt site, Pt(2) is bonded to three equivalent In(1) and three equivalent In(2) atoms to form a mixture of distorted face, corner, and edge-sharing PtIn6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the third Pt site, Pt(3) is bonded in a 6-coordinate geometry to six equivalent Pt(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to six equivalent Pt(2) atoms. In the second In site, In(2) is bonded in a 6-coordinate geometry to three equivalent Pt(1) and three equivalent Pt(2) atoms. is represented by the CIF card [CIF]
data_In3Pt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.116
_cell_length_b   4.116
_cell_length_c   11.096
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   162.815
_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
  In  In0  1  0.000  0.000  0.500  1.0
  In  In1  1  0.667  0.333  0.235  1.0
  In  In2  1  0.667  0.333  0.765  1.0
  Pt  Pt3  1  0.333  0.667  0.121  1.0
  Pt  Pt4  1  0.333  0.667  0.627  1.0
  Pt  Pt5  1  0.333  0.667  0.373  1.0
  Pt  Pt6  1  0.333  0.667  0.879  1.0
  Pt  Pt7  1  0.000  0.000  0.000  1.0
[/CIF]
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